2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide

C16H25ClN2O4S — CID 113157038

IUPAC2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O4S/c1-11(2)6-7-18-16(20)10-19(24(5,21)22)14-8-12(3)13(17)9-15(14)23-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyMCKCJROLDLEQIE-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.59
Rot. Bonds8

About 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide

2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 113157038) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
PubChem CID113157038
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O4S/c1-11(2)6-7-18-16(20)10-19(24(5,21)22)14-8-12(3)13(17)9-15(14)23-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyMCKCJROLDLEQIE-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113157049
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
CID 113157009
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 53278773
2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 113155171
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 48557581
N-(3-methylbutyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157515
N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 30222330
N-(2-methoxyethyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3464588
N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113070286
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutyl)acetamide
CID 21372573
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 100581819

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide (CID 113157038) is 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide is COc1cc(Cl)c(C)cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is MCKCJROLDLEQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O4S/c1-11(2)6-7-18-16(20)10-19(24(5,21)22)14-8-12(3)13(17)9-15(14)23-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20).
What are the key properties of 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 376.91 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113157038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).