N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide

C18H21ClN2O3S — CID 30168992

IUPACN-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCc1c(Cl)cccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-16(19)10-7-11-17(14)21(25(3,23)24)13-18(22)20(2)12-15-8-5-4-6-9-15/h4-11H,12-13H2,1-3H3
InChIKeyNADGUJOMZUVWNV-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.07
Rot. Bonds6

About N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide

N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 30168992) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID30168992
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCc1c(Cl)cccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-16(19)10-7-11-17(14)21(25(3,23)24)13-18(22)20(2)12-15-8-5-4-6-9-15/h4-11H,12-13H2,1-3H3
InChIKeyNADGUJOMZUVWNV-UHFFFAOYSA-N
XLogP3.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676647
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154877
(2S)-2-[benzyl-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbutanamide
CID 100539164
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
(2S)-2-[benzyl-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125067824
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
N,N-dibenzyl-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891702
2-(2-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92672008
N-tert-butyl-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147549
2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171332
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide (CID 30168992) is N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide is Cc1c(Cl)cccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is NADGUJOMZUVWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14-16(19)10-7-11-17(14)21(25(3,23)24)13-18(22)20(2)12-15-8-5-4-6-9-15/h4-11H,12-13H2,1-3H3.
What are the key properties of N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide?
N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 380.90 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 30168992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).