2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C25H27ClN2O4S — CID 43871896

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18-8-10-20(11-9-18)16-28(33(30,31)22-14-12-21(26)13-15-22)17-25(29)27-19(2)23-6-4-5-7-24(23)32-3/h4-15,19H,16-17H2,1-3H3,(H,27,29)
InChIKeyPDKUIUZGMBDSAS-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.73
Rot. Bonds9

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

2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 43871896) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID43871896
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18-8-10-20(11-9-18)16-28(33(30,31)22-14-12-21(26)13-15-22)17-25(29)27-19(2)23-6-4-5-7-24(23)32-3/h4-15,19H,16-17H2,1-3H3,(H,27,29)
InChIKeyPDKUIUZGMBDSAS-UHFFFAOYSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 94861292
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545342
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871849
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544842
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872342
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545495
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546562
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28547324
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871862
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401156
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28544716

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 43871896) is 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is PDKUIUZGMBDSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-18-8-10-20(11-9-18)16-28(33(30,31)22-14-12-21(26)13-15-22)17-25(29)27-19(2)23-6-4-5-7-24(23)32-3/h4-15,19H,16-17H2,1-3H3,(H,27,29).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43871896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).