2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C18H21ClN2O4S — CID 26618752

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(16-6-4-5-7-17(16)25-3)20-18(22)12-21(2)26(23,24)15-10-8-14(19)9-11-15/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyUJMFHMYLTPSKSR-CYBMUJFWSA-N
MW396.90 g/mol
LogP2.85
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 26618752) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID26618752
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(16-6-4-5-7-17(16)25-3)20-18(22)12-21(2)26(23,24)15-10-8-14(19)9-11-15/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyUJMFHMYLTPSKSR-CYBMUJFWSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544990
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26085188
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100667509
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217368
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871862
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545049
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871953
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871896
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125060392
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251683

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 26618752) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is UJMFHMYLTPSKSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13(16-6-4-5-7-17(16)25-3)20-18(22)12-21(2)26(23,24)15-10-8-14(19)9-11-15/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 26618752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).