4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide

C16H17ClN2O3S2 — CID 97260672

IUPAC4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H17ClN2O3S2/c1-9-14(8-13(23-9)16(18)20)24(21,22)19-15(10-2-3-10)11-4-6-12(17)7-5-11/h4-8,10,15,19H,2-3H2,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyMKZIAEMZBBGXTR-HNNXBMFYSA-N
MW384.91 g/mol
LogP3.24
Rot. Bonds6

About 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide

4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide (PubChem CID 97260672) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
PubChem CID97260672
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H17ClN2O3S2/c1-9-14(8-13(23-9)16(18)20)24(21,22)19-15(10-2-3-10)11-4-6-12(17)7-5-11/h4-8,10,15,19H,2-3H2,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyMKZIAEMZBBGXTR-HNNXBMFYSA-N
XLogP3.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
CID 166203460
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502898
4-(cyclohexylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502872
4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
4-[(4-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502862
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
CID 43767608
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide
CID 146149585
4-chloro-N-[cyclopropyl(phenyl)methyl]-2-nitrobenzenesulfonamide
CID 55565443

Frequently Asked Questions

What is the IUPAC name of 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide (CID 97260672) is 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(N)=O)cc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The InChIKey is MKZIAEMZBBGXTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-9-14(8-13(23-9)16(18)20)24(21,22)19-15(10-2-3-10)11-4-6-12(17)7-5-11/h4-8,10,15,19H,2-3H2,1H3,(H2,18,20)/t15-/m0/s1.
What are the key properties of 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 97260672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).