N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide

C18H24N2O3S2 — CID 46613254

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-12(2)17(16-6-5-11-24-16)19-18(21)14-7-9-15(10-8-14)25(22,23)20-13(3)4/h5-13,17,20H,1-4H3,(H,19,21)
InChIKeyFUROCTHCPVSIKB-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.56
Rot. Bonds7

About N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46613254) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID46613254
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-12(2)17(16-6-5-11-24-16)19-18(21)14-7-9-15(10-8-14)25(22,23)20-13(3)4/h5-13,17,20H,1-4H3,(H,19,21)
InChIKeyFUROCTHCPVSIKB-UHFFFAOYSA-N
XLogP3.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613275
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 26462698
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691959
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 46613254) is N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NC(c2cccs2)C(C)C)cc1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FUROCTHCPVSIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-12(2)17(16-6-5-11-24-16)19-18(21)14-7-9-15(10-8-14)25(22,23)20-13(3)4/h5-13,17,20H,1-4H3,(H,19,21).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 380.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46613254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).