N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

C24H33N3O4S2 — CID 17140621

IUPACN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C24H33N3O4S2/c1-5-14-27(15-6-2)33(29,30)22-12-10-20(11-13-22)25-24(32)26-23(28)19-8-7-9-21(16-19)31-17-18(3)4/h7-13,16,18H,5-6,14-15,17H2,1-4H3,(H2,25,26,28,32)
InChIKeyTYSQGPZRTBRSSV-UHFFFAOYSA-N
MW491.68 g/mol
LogP4.66
Rot. Bonds11

About N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide (PubChem CID 17140621) has the molecular formula C24H33N3O4S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
PubChem CID17140621
Molecular FormulaC24H33N3O4S2
Molecular Weight491.68 g/mol
Exact Mass491.19
IUPAC NameN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C24H33N3O4S2/c1-5-14-27(15-6-2)33(29,30)22-12-10-20(11-13-22)25-24(32)26-23(28)19-8-7-9-21(16-19)31-17-18(3)4/h7-13,16,18H,5-6,14-15,17H2,1-4H3,(H2,25,26,28,32)
InChIKeyTYSQGPZRTBRSSV-UHFFFAOYSA-N
XLogP4.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17202804
3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 4957755
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945998
N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17099390
3-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219220
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140558
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952258
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 46760781
4-butan-2-yloxy-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17141588
N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140583
3-(2-methylpropoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 17140799

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide (CID 17140621) is N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is TYSQGPZRTBRSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S2/c1-5-14-27(15-6-2)33(29,30)22-12-10-20(11-13-22)25-24(32)26-23(28)19-8-7-9-21(16-19)31-17-18(3)4/h7-13,16,18H,5-6,14-15,17H2,1-4H3,(H2,25,26,28,32).
What are the key properties of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide?
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 491.68 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17140621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).