2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

C26H29ClN2O4S — CID 125085697

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H29ClN2O4S/c1-17-13-19(3)25(14-18(17)2)20(4)28-26(30)16-29(22-8-6-7-21(27)15-22)34(31,32)24-11-9-23(33-5)10-12-24/h6-15,20H,16H2,1-5H3,(H,28,30)/t20-/m1/s1
InChIKeySLKVZEPZGBVVCL-HXUWFJFHSA-N
MW501.05 g/mol
LogP5.35
Rot. Bonds8

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 125085697) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID125085697
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H29ClN2O4S/c1-17-13-19(3)25(14-18(17)2)20(4)28-26(30)16-29(22-8-6-7-21(27)15-22)34(31,32)24-11-9-23(33-5)10-12-24/h6-15,20H,16H2,1-5H3,(H,28,30)/t20-/m1/s1
InChIKeySLKVZEPZGBVVCL-HXUWFJFHSA-N
XLogP5.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.05
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43897993
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125084351
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28631720
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897969
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92647335
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126179354
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30242862
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 2225967
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30214531

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 125085697) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is SLKVZEPZGBVVCL-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c1-17-13-19(3)25(14-18(17)2)20(4)28-26(30)16-29(22-8-6-7-21(27)15-22)34(31,32)24-11-9-23(33-5)10-12-24/h6-15,20H,16H2,1-5H3,(H,28,30)/t20-/m1/s1.
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 501.05 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 125085697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).