2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile

C27H23N3O5S — CID 141458849

IUPAC2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile
SMILESCOc1ccc(C(=O)c2c(C#N)c(N)n(S(=O)(=O)c3ccc(C)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H23N3O5S/c1-17-4-14-22(15-5-17)36(32,33)30-25(18-6-10-20(34-2)11-7-18)24(23(16-28)27(30)29)26(31)19-8-12-21(35-3)13-9-19/h4-15H,29H2,1-3H3
InChIKeyCIVARZXNYJLBKN-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.40
Rot. Bonds7

About 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile

2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile (PubChem CID 141458849) has the molecular formula C27H23N3O5S and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile
PubChem CID141458849
Molecular FormulaC27H23N3O5S
Molecular Weight501.56 g/mol
Exact Mass501.14
IUPAC Name2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile
SMILESCOc1ccc(C(=O)c2c(C#N)c(N)n(S(=O)(=O)c3ccc(C)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H23N3O5S/c1-17-4-14-22(15-5-17)36(32,33)30-25(18-6-10-20(34-2)11-7-18)24(23(16-28)27(30)29)26(31)19-8-12-21(35-3)13-9-19/h4-15H,29H2,1-3H3
InChIKeyCIVARZXNYJLBKN-UHFFFAOYSA-N
XLogP4.40
TPSA124.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile 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

2-amino-5-(4-bromobenzoyl)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrole-3-carbonitrile
CID 25220929
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(4-methoxyphenyl)-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]phenol
CID 157225733
methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate
CID 102167425
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
CID 14880458
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
2-amino-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 58739635
2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
CID 162398288

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile (CID 141458849) is 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile is COc1ccc(C(=O)c2c(C#N)c(N)n(S(=O)(=O)c3ccc(C)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile?
The InChIKey is CIVARZXNYJLBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5S/c1-17-4-14-22(15-5-17)36(32,33)30-25(18-6-10-20(34-2)11-7-18)24(23(16-28)27(30)29)26(31)19-8-12-21(35-3)13-9-19/h4-15H,29H2,1-3H3.
What are the key properties of 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile?
2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile has a molecular weight of 501.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile is sourced from PubChem (CID 141458849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).