3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

C18H22N2O3S2 — CID 46691945

IUPAC3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)17(16-7-4-10-24-16)19-18(21)13-5-3-6-15(11-13)25(22,23)20-14-8-9-14/h3-7,10-12,14,17,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyHDNXGLXXLALGKS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.32
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (PubChem CID 46691945) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
PubChem CID46691945
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)17(16-7-4-10-24-16)19-18(21)13-5-3-6-15(11-13)25(22,23)20-14-8-9-14/h3-7,10-12,14,17,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyHDNXGLXXLALGKS-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41307479
3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691959
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 98785453
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide
CID 55938807
2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27755032
N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 51206832
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (CID 46691945) is 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is CC(C)C(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccs1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The InChIKey is HDNXGLXXLALGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12(2)17(16-7-4-10-24-16)19-18(21)13-5-3-6-15(11-13)25(22,23)20-14-8-9-14/h3-7,10-12,14,17,20H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 46691945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).