N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide

C20H20N2O4S2 — CID 110500842

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)sc2ccccc12
InChIInChI=1S/C20H20N2O4S2/c1-3-6-17-16-7-4-5-8-18(16)27-19(17)20(24)21-14-9-11-15(12-10-14)28(25,26)22-13(2)23/h4-5,7-12H,3,6H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGWPVFQGXBYKBBM-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.93
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110500842) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
PubChem CID110500842
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)sc2ccccc12
InChIInChI=1S/C20H20N2O4S2/c1-3-6-17-16-7-4-5-8-18(16)27-19(17)20(24)21-14-9-11-15(12-10-14)28(25,26)22-13(2)23/h4-5,7-12H,3,6H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGWPVFQGXBYKBBM-UHFFFAOYSA-N
XLogP3.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
3-chloro-N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 51319186
2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
CID 110500861
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500920
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide
CID 25038545
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500869
3-chloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55428790
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503312
3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3312445
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500680
N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110503327

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide (CID 110500842) is N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)sc2ccccc12.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is GWPVFQGXBYKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-3-6-17-16-7-4-5-8-18(16)27-19(17)20(24)21-14-9-11-15(12-10-14)28(25,26)22-13(2)23/h4-5,7-12H,3,6H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110500842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).