2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

C28H33ClN2O5S — CID 125084351

IUPAC2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H33ClN2O5S/c1-18(2)25-16-26(19(3)15-27(25)36-6)20(4)30-28(32)17-31(22-9-7-21(29)8-10-22)37(33,34)24-13-11-23(35-5)12-14-24/h7-16,18,20H,17H2,1-6H3,(H,30,32)/t20-/m1/s1
InChIKeyPLZROSCGFYLIJL-HXUWFJFHSA-N
MW545.10 g/mol
LogP5.86
Rot. Bonds10

About 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 125084351) has the molecular formula C28H33ClN2O5S and a molecular weight of 545.10 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
PubChem CID125084351
Molecular FormulaC28H33ClN2O5S
Molecular Weight545.10 g/mol
Exact Mass544.18
IUPAC Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H33ClN2O5S/c1-18(2)25-16-26(19(3)15-27(25)36-6)20(4)30-28(32)17-31(22-9-7-21(29)8-10-22)37(33,34)24-13-11-23(35-5)12-14-24/h7-16,18,20H,17H2,1-6H3,(H,30,32)/t20-/m1/s1
InChIKeyPLZROSCGFYLIJL-HXUWFJFHSA-N
XLogP5.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.10
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125088231
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217368
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186247
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186317
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186210
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078858
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125080822
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125085697
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186227
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100758756
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92674265
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92647187

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (CID 125084351) is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is PLZROSCGFYLIJL-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H33ClN2O5S/c1-18(2)25-16-26(19(3)15-27(25)36-6)20(4)30-28(32)17-31(22-9-7-21(29)8-10-22)37(33,34)24-13-11-23(35-5)12-14-24/h7-16,18,20H,17H2,1-6H3,(H,30,32)/t20-/m1/s1.
What are the key properties of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 545.10 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 125084351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).