2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide

C26H29ClN2O4S — CID 100559953

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide
SMILESCCc1ccc(CC)c(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C26H29ClN2O4S/c1-4-19-9-10-20(5-2)21(15-19)17-28-26(30)18-29(23-8-6-7-22(27)16-23)34(31,32)25-13-11-24(33-3)12-14-25/h6-16H,4-5,17-18H2,1-3H3,(H,28,30)
InChIKeyXLNRKTVEGKPUKQ-UHFFFAOYSA-N
MW501.05 g/mol
LogP4.99
Rot. Bonds10

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide (PubChem CID 100559953) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide
PubChem CID100559953
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide
SMILESCCc1ccc(CC)c(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C26H29ClN2O4S/c1-4-19-9-10-20(5-2)21(15-19)17-28-26(30)18-29(23-8-6-7-22(27)16-23)34(31,32)25-13-11-24(33-3)12-14-25/h6-16H,4-5,17-18H2,1-3H3,(H,28,30)
InChIKeyXLNRKTVEGKPUKQ-UHFFFAOYSA-N
XLogP4.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.05
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 126134625
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126182772
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244115
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99958980
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035646
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30242862

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide (CID 100559953) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide is CCc1ccc(CC)c(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide?
The InChIKey is XLNRKTVEGKPUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c1-4-19-9-10-20(5-2)21(15-19)17-28-26(30)18-29(23-8-6-7-22(27)16-23)34(31,32)25-13-11-24(33-3)12-14-25/h6-16H,4-5,17-18H2,1-3H3,(H,28,30).
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide has a molecular weight of 501.05 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2,5-diethylphenyl)methyl]acetamide is sourced from PubChem (CID 100559953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).