3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide

C24H26N2O3S2 — CID 41307479

IUPAC3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCC(C)c1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-16(2)17-8-10-18(11-9-17)23(22-7-4-14-30-22)25-24(27)19-5-3-6-21(15-19)31(28,29)26-20-12-13-20/h3-11,14-16,20,23,26H,12-13H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyJRFIJSCYHUFQQI-QHCPKHFHSA-N
MW454.62 g/mol
LogP4.83
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide

3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 41307479) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID41307479
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCC(C)c1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-16(2)17-8-10-18(11-9-17)23(22-7-4-14-30-22)25-24(27)19-5-3-6-21(15-19)31(28,29)26-20-12-13-20/h3-11,14-16,20,23,26H,12-13H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyJRFIJSCYHUFQQI-QHCPKHFHSA-N
XLogP4.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 30406600
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 98785453
3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide
CID 55751629
4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 74756714
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27755032

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide (CID 41307479) is 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide is CC(C)c1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c2cccs2)cc1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is JRFIJSCYHUFQQI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-16(2)17-8-10-18(11-9-17)23(22-7-4-14-30-22)25-24(27)19-5-3-6-21(15-19)31(28,29)26-20-12-13-20/h3-11,14-16,20,23,26H,12-13H2,1-2H3,(H,25,27)/t23-/m0/s1.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 454.62 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 41307479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).