N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

C19H22N2O3S2 — CID 51297984

IUPACN-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O3S2/c22-19(20-16-7-3-4-8-16)18-17(10-12-25-18)26(23,24)21-11-9-14-5-1-2-6-15(14)13-21/h1-2,5-6,10,12,16H,3-4,7-9,11,13H2,(H,20,22)
InChIKeyWPAPNYBGNMMNAV-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.17
Rot. Bonds4

About N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide (PubChem CID 51297984) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
PubChem CID51297984
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O3S2/c22-19(20-16-7-3-4-8-16)18-17(10-12-25-18)26(23,24)21-11-9-14-5-1-2-6-15(14)13-21/h1-2,5-6,10,12,16H,3-4,7-9,11,13H2,(H,20,22)
InChIKeyWPAPNYBGNMMNAV-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 126775559
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propan-2-ylthiophene-2-carboxamide
CID 46532010
3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]propanoic acid
CID 119177536
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502755
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
N'-(2-chlorobenzoyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbohydrazide
CID 55489045
N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 6503835
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 39897883
cyclopentyl-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]piperazin-1-yl]methanone
CID 55566820
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30664840
methyl 7-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]heptanoate
CID 36625080
N-(3-amino-2-methylpropyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 119996353

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide (CID 51297984) is N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide is O=C(NC1CCCC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The InChIKey is WPAPNYBGNMMNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-19(20-16-7-3-4-8-16)18-17(10-12-25-18)26(23,24)21-11-9-14-5-1-2-6-15(14)13-21/h1-2,5-6,10,12,16H,3-4,7-9,11,13H2,(H,20,22).
What are the key properties of N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 51297984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).