2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C26H29ClN2O4S — CID 28634112

IUPAC2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C26H29ClN2O4S/c1-18(2)33-22-12-10-21(11-13-22)16-28-26(30)17-29(25-7-5-6-24(27)20(25)4)34(31,32)23-14-8-19(3)9-15-23/h5-15,18H,16-17H2,1-4H3,(H,28,30)
InChIKeyRCEJSUCGBZPSLE-UHFFFAOYSA-N
MW501.05 g/mol
LogP5.26
Rot. Bonds9

About 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 28634112) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID28634112
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C26H29ClN2O4S/c1-18(2)33-22-12-10-21(11-13-22)16-28-26(30)17-29(25-7-5-6-24(27)20(25)4)34(31,32)23-14-8-19(3)9-15-23/h5-15,18H,16-17H2,1-4H3,(H,28,30)
InChIKeyRCEJSUCGBZPSLE-UHFFFAOYSA-N
XLogP5.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.05
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-nitrosophenyl)methyl]acetamide
CID 89196822
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30306036
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
(E)-3-[4-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 58009433
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3764513
2-(3-chloro-2-methyl-N-(3-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 58009542
N-[(3-butoxyphenyl)methyl]-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 71022482
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide
CID 58009444
2-(3-chloro-2-methyl-N-(4-pyridin-4-yloxyphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 58009726
(2R)-2-[3-[[[2-(3-chloro-N-(4-ethylphenyl)sulfonyl-2-methylanilino)acetyl]amino]methyl]phenoxy]propanoic acid
CID 58009706
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutyl)acetamide
CID 58009611

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 28634112) is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is RCEJSUCGBZPSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c1-18(2)33-22-12-10-21(11-13-22)16-28-26(30)17-29(25-7-5-6-24(27)20(25)4)34(31,32)23-14-8-19(3)9-15-23/h5-15,18H,16-17H2,1-4H3,(H,28,30).
What are the key properties of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 501.05 g/mol, XLogP of 5.26, 9 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-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 28634112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).