2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

C24H24Cl2N2O5S — CID 100746483

IUPAC2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24Cl2N2O5S/c1-16(20-14-18(32-2)10-12-23(20)33-3)27-24(29)15-28(17-9-11-21(25)22(26)13-17)34(30,31)19-7-5-4-6-8-19/h4-14,16H,15H2,1-3H3,(H,27,29)/t16-/m0/s1
InChIKeyKPAJTMUMGYEYFV-INIZCTEOSA-N
MW523.44 g/mol
LogP5.08
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 100746483) has the molecular formula C24H24Cl2N2O5S and a molecular weight of 523.44 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID100746483
Molecular FormulaC24H24Cl2N2O5S
Molecular Weight523.44 g/mol
Exact Mass522.08
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24Cl2N2O5S/c1-16(20-14-18(32-2)10-12-23(20)33-3)27-24(29)15-28(17-9-11-21(25)22(26)13-17)34(30,31)19-7-5-4-6-8-19/h4-14,16H,15H2,1-3H3,(H,27,29)/t16-/m0/s1
InChIKeyKPAJTMUMGYEYFV-INIZCTEOSA-N
XLogP5.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100512668
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 125058440
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100758756
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30305601
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133200085
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2284373
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133202270
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186210

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 100746483) is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is KPAJTMUMGYEYFV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24Cl2N2O5S/c1-16(20-14-18(32-2)10-12-23(20)33-3)27-24(29)15-28(17-9-11-21(25)22(26)13-17)34(30,31)19-7-5-4-6-8-19/h4-14,16H,15H2,1-3H3,(H,27,29)/t16-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 523.44 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 100746483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).