N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide

C18H15ClN2O2S — CID 46761801

IUPACN-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C18H15ClN2O2S/c1-11(22)21(2)13-7-5-6-12(10-13)20-18(23)17-16(19)14-8-3-4-9-15(14)24-17/h3-10H,1-2H3,(H,20,23)
InChIKeyAXAZDWQRWJWTCU-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.79
Rot. Bonds3

About N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide

N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 46761801) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID46761801
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C18H15ClN2O2S/c1-11(22)21(2)13-7-5-6-12(10-13)20-18(23)17-16(19)14-8-3-4-9-15(14)24-17/h3-10H,1-2H3,(H,20,23)
InChIKeyAXAZDWQRWJWTCU-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 1222512
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
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1010853
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 1322308

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide (CID 46761801) is N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide is CC(=O)N(C)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is AXAZDWQRWJWTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-11(22)21(2)13-7-5-6-12(10-13)20-18(23)17-16(19)14-8-3-4-9-15(14)24-17/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide?
N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46761801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).