1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea

C14H16FN3O3S2 — CID 17445044

IUPAC1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C14H16FN3O3S2/c1-18(2)23(20,21)13-8-7-10(22-13)9-16-14(19)17-12-6-4-3-5-11(12)15/h3-8H,9H2,1-2H3,(H2,16,17,19)
InChIKeyMTDXKXNKQPNFKV-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.46
Rot. Bonds5

About 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea

1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea (PubChem CID 17445044) has the molecular formula C14H16FN3O3S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
PubChem CID17445044
Molecular FormulaC14H16FN3O3S2
Molecular Weight357.43 g/mol
Exact Mass357.06
IUPAC Name1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C14H16FN3O3S2/c1-18(2)23(20,21)13-8-7-10(22-13)9-16-14(19)17-12-6-4-3-5-11(12)15/h3-8H,9H2,1-2H3,(H2,16,17,19)
InChIKeyMTDXKXNKQPNFKV-UHFFFAOYSA-N
XLogP2.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55706981
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
1-(2-fluorophenyl)-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583778
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232739
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 33307839
(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide
CID 51941434
(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide
CID 52519602
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111875966

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea (CID 17445044) is 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea is CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2F)s1.
What is the InChIKey of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea?
The InChIKey is MTDXKXNKQPNFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S2/c1-18(2)23(20,21)13-8-7-10(22-13)9-16-14(19)17-12-6-4-3-5-11(12)15/h3-8H,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea?
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea has a molecular weight of 357.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 17445044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).