N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide

C17H12ClNO2S — CID 681064

IUPACN-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C17H12ClNO2S/c1-10(20)11-5-4-6-12(9-11)19-17(21)16-15(18)13-7-2-3-8-14(13)22-16/h2-9H,1H3,(H,19,21)
InChIKeyDBBCURYPAUXJMP-UHFFFAOYSA-N
MW329.81 g/mol
LogP5.01
Rot. Bonds3

About N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide

N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 681064) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID681064
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC NameN-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C17H12ClNO2S/c1-10(20)11-5-4-6-12(9-11)19-17(21)16-15(18)13-7-2-3-8-14(13)22-16/h2-9H,1H3,(H,19,21)
InChIKeyDBBCURYPAUXJMP-UHFFFAOYSA-N
XLogP5.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.81
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-[3-(1-phenylethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 43877739
3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 17218930
N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 46761801
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
CID 6032132
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 19225608
N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1348159
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1010853
N-[3-[(Z)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6019561
ethyl 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]benzoate
CID 9228140

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CID 681064) is N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is CC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is DBBCURYPAUXJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c1-10(20)11-5-4-6-12(9-11)19-17(21)16-15(18)13-7-2-3-8-14(13)22-16/h2-9H,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 681064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).