3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide

C18H11ClN2O3S — CID 3456999

IUPAC3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H11ClN2O3S/c19-13-10-6-2-4-8-12(10)25-16(13)18(23)21-14-9-5-1-3-7-11(9)24-15(14)17(20)22/h1-8H,(H2,20,22)(H,21,23)
InChIKeyVCNKPBKXTWEPFH-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.65
Rot. Bonds3

About 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide

3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 3456999) has the molecular formula C18H11ClN2O3S and a molecular weight of 370.82 g/mol. Its IUPAC name is 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide
PubChem CID3456999
Molecular FormulaC18H11ClN2O3S
Molecular Weight370.82 g/mol
Exact Mass370.02
IUPAC Name3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H11ClN2O3S/c19-13-10-6-2-4-8-12(10)25-16(13)18(23)21-14-9-5-1-3-7-11(9)24-15(14)17(20)22/h1-8H,(H2,20,22)(H,21,23)
InChIKeyVCNKPBKXTWEPFH-UHFFFAOYSA-N
XLogP4.65
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
3,6-dichloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-1-benzothiophene-2-carboxamide
CID 18848145
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
CID 3922547
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4674669
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3,6-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-1-benzothiophene-2-carboxamide
CID 18848131
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide (CID 3456999) is 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is VCNKPBKXTWEPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3S/c19-13-10-6-2-4-8-12(10)25-16(13)18(23)21-14-9-5-1-3-7-11(9)24-15(14)17(20)22/h1-8H,(H2,20,22)(H,21,23).
What are the key properties of 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide?
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3456999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).