N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide

C20H25ClN2O4S — CID 45373368

IUPACN-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-5-6-15-7-10-17(11-8-15)22-20(24)14-23(2)28(25,26)19-13-16(21)9-12-18(19)27-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)
InChIKeyWUNZTECMSFMXNY-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.95
Rot. Bonds9

About N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide

N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 45373368) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID45373368
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-5-6-15-7-10-17(11-8-15)22-20(24)14-23(2)28(25,26)19-13-16(21)9-12-18(19)27-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)
InChIKeyWUNZTECMSFMXNY-UHFFFAOYSA-N
XLogP3.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373374
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
methyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373356
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45373358
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 27260910
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373137
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 32941920

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 45373368) is N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide is CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is WUNZTECMSFMXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-5-6-15-7-10-17(11-8-15)22-20(24)14-23(2)28(25,26)19-13-16(21)9-12-18(19)27-3/h7-13H,4-6,14H2,1-3H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 45373368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).