N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide

C16H24N2O3S2 — CID 146278566

IUPACN-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
SMILESCC(C)CNS(=O)(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2
InChIInChI=1S/C16H24N2O3S2/c1-10(2)9-17-23(20,21)14-12-5-3-4-6-13(12)22-16(14)18-15(19)11-7-8-11/h10-11,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyCQNOSUXZQOKXAE-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide

N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide (PubChem CID 146278566) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
PubChem CID146278566
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC NameN-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
SMILESCC(C)CNS(=O)(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2
InChIInChI=1S/C16H24N2O3S2/c1-10(2)9-17-23(20,21)14-12-5-3-4-6-13(12)22-16(14)18-15(19)11-7-8-11/h10-11,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyCQNOSUXZQOKXAE-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[1-(ethylamino)ethenyl]-3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 166003698
molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 153377085
2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 99812976
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 6473263
propan-2-yl 2-(cyclobutanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1225659
1-N,4-N-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclohexane-1,4-dicarboxamide
CID 2375460
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclopropanecarboxamide
CID 679001
N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 146284606
carbamoyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 91273292
2-(3-methylbutanoylamino)-N-(2-methylpropyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
CID 3851375
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclohexanecarboxamide
CID 847352

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide (CID 146278566) is N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide is CC(C)CNS(=O)(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2.
What is the InChIKey of N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is CQNOSUXZQOKXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-10(2)9-17-23(20,21)14-12-5-3-4-6-13(12)22-16(14)18-15(19)11-7-8-11/h10-11,17H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146278566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).