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

C25H27ClN2O4S — CID 28544127

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-19(21-8-10-22(26)11-9-21)27-25(29)18-28(17-16-20-6-4-3-5-7-20)33(30,31)24-14-12-23(32-2)13-15-24/h3-15,19H,16-18H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyDKMMAMJPSLPGPF-IBGZPJMESA-N
MW487.02 g/mol
LogP4.46
Rot. Bonds10

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

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 28544127) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID28544127
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-19(21-8-10-22(26)11-9-21)27-25(29)18-28(17-16-20-6-4-3-5-7-20)33(30,31)24-14-12-23(32-2)13-15-24/h3-15,19H,16-18H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyDKMMAMJPSLPGPF-IBGZPJMESA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543745
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
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401016
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872467
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543780
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044817
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401062
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906254
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94861263

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 28544127) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is DKMMAMJPSLPGPF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-19(21-8-10-22(26)11-9-21)27-25(29)18-28(17-16-20-6-4-3-5-7-20)33(30,31)24-14-12-23(32-2)13-15-24/h3-15,19H,16-18H2,1-2H3,(H,27,29)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 487.02 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 28544127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).