N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide

C20H25ClN2O3S — CID 43895399

IUPACN-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-3-16(13-17-9-5-4-6-10-17)14-22-20(24)15-23(27(2,25)26)19-12-8-7-11-18(19)21/h4-12,16H,3,13-15H2,1-2H3,(H,22,24)
InChIKeyCTTWPCAEZFIKMM-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.49
Rot. Bonds9

About N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide

N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide (PubChem CID 43895399) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
PubChem CID43895399
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-3-16(13-17-9-5-4-6-10-17)14-22-20(24)15-23(27(2,25)26)19-12-8-7-11-18(19)21/h4-12,16H,3,13-15H2,1-2H3,(H,22,24)
InChIKeyCTTWPCAEZFIKMM-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 43897555
N-(2-benzylbutyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894914
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 43898709
N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43901298
(2S)-2-[benzyl-[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100581321
N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132635003
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2290460

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide (CID 43895399) is N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide is CCC(CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The InChIKey is CTTWPCAEZFIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-3-16(13-17-9-5-4-6-10-17)14-22-20(24)15-23(27(2,25)26)19-12-8-7-11-18(19)21/h4-12,16H,3,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide?
N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide has a molecular weight of 408.95 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43895399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).