N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C27H32N2O4S — CID 133210176

IUPACN-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C27H32N2O4S/c1-6-25(22-12-15-26(33-5)21(4)17-22)28-27(30)18-29(23-9-7-8-20(3)16-23)34(31,32)24-13-10-19(2)11-14-24/h7-17,25H,6,18H2,1-5H3,(H,28,30)
InChIKeyJMALDENPZJCZAV-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.08
Rot. Bonds9

About N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 133210176) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID133210176
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C27H32N2O4S/c1-6-25(22-12-15-26(33-5)21(4)17-22)28-27(30)18-29(23-9-7-8-20(3)16-23)34(31,32)24-13-10-19(2)11-14-24/h7-17,25H,6,18H2,1-5H3,(H,28,30)
InChIKeyJMALDENPZJCZAV-UHFFFAOYSA-N
XLogP5.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133184398
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133262289
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43894556
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 100754383
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100557386
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43886521
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133228876
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43894026
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100560413
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100560403

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 133210176) is N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCC(NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is JMALDENPZJCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-6-25(22-12-15-26(33-5)21(4)17-22)28-27(30)18-29(23-9-7-8-20(3)16-23)34(31,32)24-13-10-19(2)11-14-24/h7-17,25H,6,18H2,1-5H3,(H,28,30).
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 480.63 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 133210176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).