molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide

C16H24N2O3S2 — CID 153377085

IUPACmolecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1sc2c(c1S(=O)(=O)N1CCCC1)CCCC2)C1CC1.[H][H]
InChIInChI=1S/C16H22N2O3S2.H2/c19-15(11-7-8-11)17-16-14(12-5-1-2-6-13(12)22-16)23(20,21)18-9-3-4-10-18;/h11H,1-10H2,(H,17,19);1H
InChIKeyZOHGTSGUJGZNCK-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.01
Rot. Bonds4

About molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide

molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide (PubChem CID 153377085) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
PubChem CID153377085
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Namemolecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1sc2c(c1S(=O)(=O)N1CCCC1)CCCC2)C1CC1.[H][H]
InChIInChI=1S/C16H22N2O3S2.H2/c19-15(11-7-8-11)17-16-14(12-5-1-2-6-13(12)22-16)23(20,21)18-9-3-4-10-18;/h11H,1-10H2,(H,17,19);1H
InChIKeyZOHGTSGUJGZNCK-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 146278566
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 99812976
methyl 2-[(1-ethylsulfonylpiperidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 132664603
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 6473263
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55334164
2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
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
methyl N-[2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate
CID 41100044
carbamoyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 91273292
N-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16825443
ethyl 2-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 94012126

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide?
The IUPAC name of molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide (CID 153377085) is molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide?
The canonical SMILES for molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide is O=C(Nc1sc2c(c1S(=O)(=O)N1CCCC1)CCCC2)C1CC1.[H][H].
What is the InChIKey of molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide?
The InChIKey is ZOHGTSGUJGZNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2.H2/c19-15(11-7-8-11)17-16-14(12-5-1-2-6-13(12)22-16)23(20,21)18-9-3-4-10-18;/h11H,1-10H2,(H,17,19);1H.
What are the key properties of molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide?
molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 153377085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).