3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C23H17ClN2O3S — CID 18376667

IUPAC3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccccc2)c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H17ClN2O3S/c1-29-17-12-7-11-16(22(27)25-14-8-3-2-4-9-14)20(17)26-23(28)21-19(24)15-10-5-6-13-18(15)30-21/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyKSRGOHMZOFXETJ-UHFFFAOYSA-N
MW436.92 g/mol
LogP6.07
Rot. Bonds5

About 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 18376667) has the molecular formula C23H17ClN2O3S and a molecular weight of 436.92 g/mol. Its IUPAC name is 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID18376667
Molecular FormulaC23H17ClN2O3S
Molecular Weight436.92 g/mol
Exact Mass436.06
IUPAC Name3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccccc2)c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H17ClN2O3S/c1-29-17-12-7-11-16(22(27)25-14-8-3-2-4-9-14)20(17)26-23(28)21-19(24)15-10-5-6-13-18(15)30-21/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyKSRGOHMZOFXETJ-UHFFFAOYSA-N
XLogP6.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
CID 160752095
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide
CID 141470890
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 3937071
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
CID 3922547
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 18376667) is 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is COc1cccc(C(=O)Nc2ccccc2)c1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is KSRGOHMZOFXETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S/c1-29-17-12-7-11-16(22(27)25-14-8-3-2-4-9-14)20(17)26-23(28)21-19(24)15-10-5-6-13-18(15)30-21/h2-13H,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18376667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).