N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C27H31ClN2O3S — CID 43894914

IUPACN-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C27H31ClN2O3S/c1-4-22(17-23-9-6-5-7-10-23)18-29-27(31)19-30(26-12-8-11-25(28)21(26)3)34(32,33)24-15-13-20(2)14-16-24/h5-16,22H,4,17-19H2,1-3H3,(H,29,31)
InChIKeyWULNDSWIWCGDEY-UHFFFAOYSA-N
MW499.08 g/mol
LogP5.54
Rot. Bonds10

About N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43894914) has the molecular formula C27H31ClN2O3S and a molecular weight of 499.08 g/mol. Its IUPAC name is N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43894914
Molecular FormulaC27H31ClN2O3S
Molecular Weight499.08 g/mol
Exact Mass498.17
IUPAC NameN-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C27H31ClN2O3S/c1-4-22(17-23-9-6-5-7-10-23)18-29-27(31)19-30(26-12-8-11-25(28)21(26)3)34(32,33)24-15-13-20(2)14-16-24/h5-16,22H,4,17-19H2,1-3H3,(H,29,31)
InChIKeyWULNDSWIWCGDEY-UHFFFAOYSA-N
XLogP5.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.08
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutyl)acetamide
CID 58009611
N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893746
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 43895399
3-[3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]phenyl]propanoic acid
CID 24883247
N-(3-benzylsulfanylpropyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30216838
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7448271
2-[benzyl-[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-butan-2-yl-3-phenylpropanamide
CID 133226840
N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 43898709
N,N-dibenzyl-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891702
2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132640995
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43894914) is N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCC(CNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is WULNDSWIWCGDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O3S/c1-4-22(17-23-9-6-5-7-10-23)18-29-27(31)19-30(26-12-8-11-25(28)21(26)3)34(32,33)24-15-13-20(2)14-16-24/h5-16,22H,4,17-19H2,1-3H3,(H,29,31).
What are the key properties of N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 499.08 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43894914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).