4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C90H111ClF6N16O14S3 — CID 158510831

IUPAC4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(C)cc1.CCCNC(=O)Nc1ccc(OC)cc1.CNC(=O)Nc1ccc(C(F)(F)F)cc1.CNC(=O)Nc1ccc(F)cc1.CNC(=S)NCCc1ccccc1.CNC(=S)Nc1ccc(F)cc1.CNS(=O)(=O)c1ccc(F)cc1.COC(=O)Nc1ccc(C)cc1.COC(=O)Nc1ccc(Cl)cc1.COC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C11H16N2O2.C11H16N2O.C10H14N2S.C9H9F3N2O.C9H11NO3.C9H11NO2.C8H8ClNO2.C8H9FN2O.C8H9FN2S.C7H8FNO2S/c1-3-8-12-11(14)13-9-4-6-10(15-2)7-5-9;1-3-8-12-11(14)13-10-6-4-9(2)5-7-10;1-11-10(13)12-8-7-9-5-3-2-4-6-9;1-13-8(15)14-7-4-2-6(3-5-7)9(10,11)12;1-12-8-5-3-7(4-6-8)10-9(11)13-2;1-7-3-5-8(6-4-7)10-9(11)12-2;1-12-8(11)10-7-4-2-6(9)3-5-7;2*1-10-8(12)11-7-4-2-6(9)3-5-7;1-9-12(10,11)7-4-2-6(8)3-5-7/h4-7H,3,8H2,1-2H3,(H2,12,13,14);4-7H,3,8H2,1-2H3,(H2,12,13,14);2-6H,7-8H2,1H3,(H2,11,12,13);2-5H,1H3,(H2,13,14,15);3-6H,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11);2-5H,1H3,(H,10,11);2*2-5H,1H3,(H2,10,11,12);2-5,9H,1H3
InChIKeyHLAKLUKPJWPGQV-UHFFFAOYSA-N
MW1886.62 g/mol
LogP19.15
Rot. Bonds19

About 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea

4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 158510831) has the molecular formula C90H111ClF6N16O14S3 and a molecular weight of 1886.62 g/mol. Its IUPAC name is 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID158510831
Molecular FormulaC90H111ClF6N16O14S3
Molecular Weight1886.62 g/mol
Exact Mass1884.72
IUPAC Name4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(C)cc1.CCCNC(=O)Nc1ccc(OC)cc1.CNC(=O)Nc1ccc(C(F)(F)F)cc1.CNC(=O)Nc1ccc(F)cc1.CNC(=S)NCCc1ccccc1.CNC(=S)Nc1ccc(F)cc1.CNS(=O)(=O)c1ccc(F)cc1.COC(=O)Nc1ccc(C)cc1.COC(=O)Nc1ccc(Cl)cc1.COC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C11H16N2O2.C11H16N2O.C10H14N2S.C9H9F3N2O.C9H11NO3.C9H11NO2.C8H8ClNO2.C8H9FN2O.C8H9FN2S.C7H8FNO2S/c1-3-8-12-11(14)13-9-4-6-10(15-2)7-5-9;1-3-8-12-11(14)13-10-6-4-9(2)5-7-10;1-11-10(13)12-8-7-9-5-3-2-4-6-9;1-13-8(15)14-7-4-2-6(3-5-7)9(10,11)12;1-12-8-5-3-7(4-6-8)10-9(11)13-2;1-7-3-5-8(6-4-7)10-9(11)12-2;1-12-8(11)10-7-4-2-6(9)3-5-7;2*1-10-8(12)11-7-4-2-6(9)3-5-7;1-9-12(10,11)7-4-2-6(8)3-5-7/h4-7H,3,8H2,1-2H3,(H2,12,13,14);4-7H,3,8H2,1-2H3,(H2,12,13,14);2-6H,7-8H2,1H3,(H2,11,12,13);2-5H,1H3,(H2,13,14,15);3-6H,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11);2-5H,1H3,(H,10,11);2*2-5H,1H3,(H2,10,11,12);2-5,9H,1H3
InChIKeyHLAKLUKPJWPGQV-UHFFFAOYSA-N
XLogP19.15
TPSA392.26 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.62
LogP ≤ 519.15
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline
CID 159818953

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CID 158510831) is 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea is CCCNC(=O)Nc1ccc(C)cc1.CCCNC(=O)Nc1ccc(OC)cc1.CNC(=O)Nc1ccc(C(F)(F)F)cc1.CNC(=O)Nc1ccc(F)cc1.CNC(=S)NCCc1ccccc1.CNC(=S)Nc1ccc(F)cc1.CNS(=O)(=O)c1ccc(F)cc1.COC(=O)Nc1ccc(C)cc1.COC(=O)Nc1ccc(Cl)cc1.COC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is HLAKLUKPJWPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C11H16N2O.C10H14N2S.C9H9F3N2O.C9H11NO3.C9H11NO2.C8H8ClNO2.C8H9FN2O.C8H9FN2S.C7H8FNO2S/c1-3-8-12-11(14)13-9-4-6-10(15-2)7-5-9;1-3-8-12-11(14)13-10-6-4-9(2)5-7-10;1-11-10(13)12-8-7-9-5-3-2-4-6-9;1-13-8(15)14-7-4-2-6(3-5-7)9(10,11)12;1-12-8-5-3-7(4-6-8)10-9(11)13-2;1-7-3-5-8(6-4-7)10-9(11)12-2;1-12-8(11)10-7-4-2-6(9)3-5-7;2*1-10-8(12)11-7-4-2-6(9)3-5-7;1-9-12(10,11)7-4-2-6(8)3-5-7/h4-7H,3,8H2,1-2H3,(H2,12,13,14);4-7H,3,8H2,1-2H3,(H2,12,13,14);2-6H,7-8H2,1H3,(H2,11,12,13);2-5H,1H3,(H2,13,14,15);3-6H,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11);2-5H,1H3,(H,10,11);2*2-5H,1H3,(H2,10,11,12);2-5,9H,1H3.
What are the key properties of 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 1886.62 g/mol, XLogP of 19.15, 19 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylbenzenesulfonamide;1-(4-fluorophenyl)-3-methylthiourea;1-(4-fluorophenyl)-3-methylurea;1-(4-methoxyphenyl)-3-propylurea;methyl N-(4-chlorophenyl)carbamate;methyl N-(4-methoxyphenyl)carbamate;methyl N-(4-methylphenyl)carbamate;1-methyl-3-(2-phenylethyl)thiourea;1-(4-methylphenyl)-3-propylurea;1-methyl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158510831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).