2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide

C28H26ClN3O3S — CID 58009444

IUPAC2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-c3ccccn3)cc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C28H26ClN3O3S/c1-20-9-15-24(16-10-20)36(34,35)32(27-8-5-6-25(29)21(27)2)19-28(33)31-18-22-11-13-23(14-12-22)26-7-3-4-17-30-26/h3-17H,18-19H2,1-2H3,(H,31,33)
InChIKeyYBPRGIJTOZHJIR-UHFFFAOYSA-N
MW520.05 g/mol
LogP5.53
Rot. Bonds8

About 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide (PubChem CID 58009444) has the molecular formula C28H26ClN3O3S and a molecular weight of 520.05 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide
PubChem CID58009444
Molecular FormulaC28H26ClN3O3S
Molecular Weight520.05 g/mol
Exact Mass519.14
IUPAC Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-c3ccccn3)cc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C28H26ClN3O3S/c1-20-9-15-24(16-10-20)36(34,35)32(27-8-5-6-25(29)21(27)2)19-28(33)31-18-22-11-13-23(14-12-22)26-7-3-4-17-30-26/h3-17H,18-19H2,1-2H3,(H,31,33)
InChIKeyYBPRGIJTOZHJIR-UHFFFAOYSA-N
XLogP5.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.05
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-nitrosophenyl)methyl]acetamide
CID 89196822
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634112
(E)-3-[4-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 58009433
3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide
CID 58009436
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
3-[3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]phenyl]propanoic acid
CID 24883247
2-(3-chloro-2-methyl-N-(4-pyridin-4-yloxyphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 58009726
N-[(3-butoxyphenyl)methyl]-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 71022482
N-benzyl-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126031695
amino 3-[[[2-(3-chloro-2-methyl-N-(4-pyridin-2-yloxyphenyl)sulfonylanilino)acetyl]amino]methyl]benzoate
CID 71022526

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide (CID 58009444) is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-c3ccccn3)cc2)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide?
The InChIKey is YBPRGIJTOZHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O3S/c1-20-9-15-24(16-10-20)36(34,35)32(27-8-5-6-25(29)21(27)2)19-28(33)31-18-22-11-13-23(14-12-22)26-7-3-4-17-30-26/h3-17H,18-19H2,1-2H3,(H,31,33).
What are the key properties of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide?
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide has a molecular weight of 520.05 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 58009444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).