2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide

C24H25N3O4S2 — CID 18575159

IUPAC2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc(C)c1C
InChIInChI=1S/C24H25N3O4S2/c1-15-16(2)32-24(21(15)23(29)25-3)26-22(28)18-8-10-20(11-9-18)33(30,31)27-13-12-17-6-4-5-7-19(17)14-27/h4-11H,12-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyVUHKZNVIKDZKTM-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.72
Rot. Bonds5

About 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide

2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide (PubChem CID 18575159) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
PubChem CID18575159
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC Name2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc(C)c1C
InChIInChI=1S/C24H25N3O4S2/c1-15-16(2)32-24(21(15)23(29)25-3)26-22(28)18-8-10-20(11-9-18)33(30,31)27-13-12-17-6-4-5-7-19(17)14-27/h4-11H,12-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyVUHKZNVIKDZKTM-UHFFFAOYSA-N
XLogP3.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide with MolForge

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Related Compounds

diethyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 23825681
diethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4049407
methyl N-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4196940
N-carbamoyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4688109
N-carbamoyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3319737
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N,6-triethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951373
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5176879
6-benzyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951631
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951562
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(morpholine-4-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23991412
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4067266
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide
CID 32736672

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide (CID 18575159) is 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide is CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc(C)c1C.
What is the InChIKey of 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide?
The InChIKey is VUHKZNVIKDZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-15-16(2)32-24(21(15)23(29)25-3)26-22(28)18-8-10-20(11-9-18)33(30,31)27-13-12-17-6-4-5-7-19(17)14-27/h4-11H,12-14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide?
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 18575159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).