2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide

C25H26Cl2N2O4S — CID 43872467

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C25H26Cl2N2O4S/c1-18(20-8-10-21(26)11-9-20)28-25(30)17-29(15-14-19-6-4-3-5-7-19)34(31,32)22-12-13-24(33-2)23(27)16-22/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,30)
InChIKeyQORKEZVJHJSZAY-UHFFFAOYSA-N
MW521.47 g/mol
LogP5.11
Rot. Bonds10

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 43872467) has the molecular formula C25H26Cl2N2O4S and a molecular weight of 521.47 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID43872467
Molecular FormulaC25H26Cl2N2O4S
Molecular Weight521.47 g/mol
Exact Mass520.10
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C25H26Cl2N2O4S/c1-18(20-8-10-21(26)11-9-20)28-25(30)17-29(15-14-19-6-4-3-5-7-19)34(31,32)22-12-13-24(33-2)23(27)16-22/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,30)
InChIKeyQORKEZVJHJSZAY-UHFFFAOYSA-N
XLogP5.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906254
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544127
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543745
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906255
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543198
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861154
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401016
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28547602
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546834
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872486

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 43872467) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is QORKEZVJHJSZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O4S/c1-18(20-8-10-21(26)11-9-20)28-25(30)17-29(15-14-19-6-4-3-5-7-19)34(31,32)22-12-13-24(33-2)23(27)16-22/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,30).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 521.47 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 43872467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).