N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide

C17H27ClN2O3S — CID 113144330

IUPACN-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H27ClN2O3S/c1-6-7-9-19(4)16(21)8-10-20(24(5,22)23)17-14(3)11-13(2)12-15(17)18/h11-12H,6-10H2,1-5H3
InChIKeyZUGUYXUWXRGNNR-UHFFFAOYSA-N
MW374.93 g/mol
LogP3.37
Rot. Bonds8

About N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide

N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 113144330) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID113144330
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC NameN-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H27ClN2O3S/c1-6-7-9-19(4)16(21)8-10-20(24(5,22)23)17-14(3)11-13(2)12-15(17)18/h11-12H,6-10H2,1-5H3
InChIKeyZUGUYXUWXRGNNR-UHFFFAOYSA-N
XLogP3.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144326
N-butyl-3-(2,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113142499
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143083
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113139013
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155053
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144323

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide (CID 113144330) is N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide is CCCCN(C)C(=O)CCN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is ZUGUYXUWXRGNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3S/c1-6-7-9-19(4)16(21)8-10-20(24(5,22)23)17-14(3)11-13(2)12-15(17)18/h11-12H,6-10H2,1-5H3.
What are the key properties of N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 374.93 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 113144330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).