2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide

C21H19N3O4S2 — CID 4118842

IUPAC2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H19N3O4S2/c22-19(25)17-11-13-29-21(17)23-20(26)15-7-9-16(10-8-15)30(27,28)24-12-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-11,13H,3,5,12H2,(H2,22,25)(H,23,26)
InChIKeyWDIIFPDCOWEMHA-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.24
Rot. Bonds5

About 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide

2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 4118842) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID4118842
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC Name2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H19N3O4S2/c22-19(25)17-11-13-29-21(17)23-20(26)15-7-9-16(10-8-15)30(27,28)24-12-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-11,13H,3,5,12H2,(H2,22,25)(H,23,26)
InChIKeyWDIIFPDCOWEMHA-UHFFFAOYSA-N
XLogP3.24
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide (CID 4118842) is 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is WDIIFPDCOWEMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c22-19(25)17-11-13-29-21(17)23-20(26)15-7-9-16(10-8-15)30(27,28)24-12-3-5-14-4-1-2-6-18(14)24/h1-2,4,6-11,13H,3,5,12H2,(H2,22,25)(H,23,26).
What are the key properties of 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide?
2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.24, 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-2H-quinolin-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 4118842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).