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

C14H14N2O3S2 — CID 6486036

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1
InChIInChI=1S/C14H14N2O3S2/c15-14(17)13-7-12(9-20-13)21(18,19)16-6-5-10-3-1-2-4-11(10)8-16/h1-4,7,9H,5-6,8H2,(H2,15,17)
InChIKeyVVDHFDKCZKJQAQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.59
Rot. Bonds3

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

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide (PubChem CID 6486036) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
PubChem CID6486036
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1
InChIInChI=1S/C14H14N2O3S2/c15-14(17)13-7-12(9-20-13)21(18,19)16-6-5-10-3-1-2-4-11(10)8-16/h1-4,7,9H,5-6,8H2,(H2,15,17)
InChIKeyVVDHFDKCZKJQAQ-UHFFFAOYSA-N
XLogP1.59
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
2-(2-Thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 2938689
4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-{[(2-Phenylethyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 6486061
4-{[(2-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025119
2-{[1-(Thien-2-ylsulfonyl)piperidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3236597
4-[5-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]benzamide
CID 89665057
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-thienylsulfonyl)-4-piperidyl]methanone
CID 1190351
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
4-(dimethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 2675259

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide (CID 6486036) is 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
The InChIKey is VVDHFDKCZKJQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c15-14(17)13-7-12(9-20-13)21(18,19)16-6-5-10-3-1-2-4-11(10)8-16/h1-4,7,9H,5-6,8H2,(H2,15,17).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide?
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 6486036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).