N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C28H34N2O5S — CID 126395918

IUPACN-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H34N2O5S/c1-4-5-9-23-12-14-24(15-13-23)29-28(31)21-30(19-18-22-10-7-6-8-11-22)36(32,33)25-16-17-26(34-2)27(20-25)35-3/h6-8,10-17,20H,4-5,9,18-19,21H2,1-3H3,(H,29,31)
InChIKeyYIYVOBRQVZQPSI-UHFFFAOYSA-N
MW510.66 g/mol
LogP4.92
Rot. Bonds13

About N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 126395918) has the molecular formula C28H34N2O5S and a molecular weight of 510.66 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID126395918
Molecular FormulaC28H34N2O5S
Molecular Weight510.66 g/mol
Exact Mass510.22
IUPAC NameN-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H34N2O5S/c1-4-5-9-23-12-14-24(15-13-23)29-28(31)21-30(19-18-22-10-7-6-8-11-22)36(32,33)25-16-17-26(34-2)27(20-25)35-3/h6-8,10-17,20H,4-5,9,18-19,21H2,1-3H3,(H,29,31)
InChIKeyYIYVOBRQVZQPSI-UHFFFAOYSA-N
XLogP4.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3642012
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
CID 126393774
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791458
N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544285
N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28547639
2-[(3,4-dimethoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40682573
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126010484
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-butylacetamide
CID 126081614
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126015329
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126118616
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861154
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6182027

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 126395918) is N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is CCCCc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is YIYVOBRQVZQPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5S/c1-4-5-9-23-12-14-24(15-13-23)29-28(31)21-30(19-18-22-10-7-6-8-11-22)36(32,33)25-16-17-26(34-2)27(20-25)35-3/h6-8,10-17,20H,4-5,9,18-19,21H2,1-3H3,(H,29,31).
What are the key properties of N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 510.66 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 126395918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).