2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

C24H25ClN2O5S — CID 100758756

IUPAC2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-17(22-15-20(31-2)11-14-23(22)32-3)26-24(28)16-27(19-7-5-4-6-8-19)33(29,30)21-12-9-18(25)10-13-21/h4-15,17H,16H2,1-3H3,(H,26,28)/t17-/m0/s1
InChIKeyUELGCJIEZCBSIZ-KRWDZBQOSA-N
MW488.99 g/mol
LogP4.43
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 100758756) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID100758756
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-17(22-15-20(31-2)11-14-23(22)32-3)26-24(28)16-27(19-7-5-4-6-8-19)33(29,30)21-12-9-18(25)10-13-21/h4-15,17H,16H2,1-3H3,(H,26,28)/t17-/m0/s1
InChIKeyUELGCJIEZCBSIZ-KRWDZBQOSA-N
XLogP4.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100746483
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 125058440
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133200085
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251683
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125060392
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100512668
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125052912
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125084351
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24607004

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 100758756) is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is UELGCJIEZCBSIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-17(22-15-20(31-2)11-14-23(22)32-3)26-24(28)16-27(19-7-5-4-6-8-19)33(29,30)21-12-9-18(25)10-13-21/h4-15,17H,16H2,1-3H3,(H,26,28)/t17-/m0/s1.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 488.99 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 100758756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).