6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide

C25H18ClN3O2S — CID 23880806

IUPAC6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide
SMILESN#Cc1c(N=c2oc3ccc(Cl)cc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2
InChIInChI=1S/C25H18ClN3O2S/c26-16-10-11-21-15(12-16)13-19(23(30)28-17-6-2-1-3-7-17)24(31-21)29-25-20(14-27)18-8-4-5-9-22(18)32-25/h1-3,6-7,10-13H,4-5,8-9H2,(H,28,30)
InChIKeyNXQPHJOESLLOBD-UHFFFAOYSA-N
MW459.96 g/mol
LogP6.38
Rot. Bonds3

About 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide

6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide (PubChem CID 23880806) has the molecular formula C25H18ClN3O2S and a molecular weight of 459.96 g/mol. Its IUPAC name is 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide
PubChem CID23880806
Molecular FormulaC25H18ClN3O2S
Molecular Weight459.96 g/mol
Exact Mass459.08
IUPAC Name6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide
SMILESN#Cc1c(N=c2oc3ccc(Cl)cc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2
InChIInChI=1S/C25H18ClN3O2S/c26-16-10-11-21-15(12-16)13-19(23(30)28-17-6-2-1-3-7-17)24(31-21)29-25-20(14-27)18-8-4-5-9-22(18)32-25/h1-3,6-7,10-13H,4-5,8-9H2,(H,28,30)
InChIKeyNXQPHJOESLLOBD-UHFFFAOYSA-N
XLogP6.38
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 46496373
(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 126476223
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
CID 3577385
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-nitro-2-oxochromene-3-carboxamide
CID 2225151
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-phenyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 137051448
2-[(2-chlorobenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1002852
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)iminochromene-3-carboxamide
CID 51367283
(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide
CID 17387306
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide;hydrate
CID 16760525
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide?
The IUPAC name of 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide (CID 23880806) is 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide is N#Cc1c(N=c2oc3ccc(Cl)cc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2.
What is the InChIKey of 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide?
The InChIKey is NXQPHJOESLLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2S/c26-16-10-11-21-15(12-16)13-19(23(30)28-17-6-2-1-3-7-17)24(31-21)29-25-20(14-27)18-8-4-5-9-22(18)32-25/h1-3,6-7,10-13H,4-5,8-9H2,(H,28,30).
What are the key properties of 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide?
6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide has a molecular weight of 459.96 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 23880806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).