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

C19H22N2O3S2 — CID 6503835

IUPACN-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1
InChIInChI=1S/C19H22N2O3S2/c22-19(20-16-7-3-4-8-16)18-11-17(13-25-18)26(23,24)21-10-9-14-5-1-2-6-15(14)12-21/h1-2,5-6,11,13,16H,3-4,7-10,12H2,(H,20,22)
InChIKeyKCYHQCDQVYBLHE-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.17
Rot. Bonds4

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

N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide (PubChem CID 6503835) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
PubChem CID6503835
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1
InChIInChI=1S/C19H22N2O3S2/c22-19(20-16-7-3-4-8-16)18-11-17(13-25-18)26(23,24)21-10-9-14-5-1-2-6-15(14)12-21/h1-2,5-6,11,13,16H,3-4,7-10,12H2,(H,20,22)
InChIKeyKCYHQCDQVYBLHE-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

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503814
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6503837
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)thiophene-2-carboxamide
CID 6503829
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 126775559
3-[amino(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)methyl]-N-cyclohexylbenzamide
CID 68822276
N-cyclopropyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide
CID 1429255
N-(3,4-dihydro-2H-chromen-3-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 86988974
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35864868

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide (CID 6503835) is N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide is O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1.
What is the InChIKey of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The InChIKey is KCYHQCDQVYBLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-19(20-16-7-3-4-8-16)18-11-17(13-25-18)26(23,24)21-10-9-14-5-1-2-6-15(14)12-21/h1-2,5-6,11,13,16H,3-4,7-10,12H2,(H,20,22).
What are the key properties of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
N-cyclopentyl-4-(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-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).