N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C25H27ClN2O5S — CID 126010484

IUPACN-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-32-23-13-12-21(16-24(23)33-2)34(30,31)28(15-14-19-8-4-3-5-9-19)18-25(29)27-17-20-10-6-7-11-22(20)26/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,29)
InChIKeyLRYIKXUTJWZXEQ-UHFFFAOYSA-N
MW503.02 g/mol
LogP3.91
Rot. Bonds11

About N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 126010484) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID126010484
Molecular FormulaC25H27ClN2O5S
Molecular Weight503.02 g/mol
Exact Mass502.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-32-23-13-12-21(16-24(23)33-2)34(30,31)28(15-14-19-8-4-3-5-9-19)18-25(29)27-17-20-10-6-7-11-22(20)26/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,29)
InChIKeyLRYIKXUTJWZXEQ-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 126394157
N-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3642012
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460404
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100791189
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126395918
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100791462
N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544285
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 126397140

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 126010484) is N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccccc2Cl)cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is LRYIKXUTJWZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-32-23-13-12-21(16-24(23)33-2)34(30,31)28(15-14-19-8-4-3-5-9-19)18-25(29)27-17-20-10-6-7-11-22(20)26/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 503.02 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 126010484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).