4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide

C16H26N2O3S — CID 53286515

IUPAC4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCCc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-14-8-10-15(11-9-14)18(22(4,20)21)12-6-7-16(19)17-13(2)3/h8-11,13H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyBYRMWSUDYSLXSY-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.32
Rot. Bonds8

About 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide

4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (PubChem CID 53286515) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
PubChem CID53286515
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCCc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-14-8-10-15(11-9-14)18(22(4,20)21)12-6-7-16(19)17-13(2)3/h8-11,13H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyBYRMWSUDYSLXSY-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 132673257
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133199763
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 124561496
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 100735118
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 100500032
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217
N-[(4-chlorophenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132683373
methyl 4-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145627

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (CID 53286515) is 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is CCc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The InChIKey is BYRMWSUDYSLXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-14-8-10-15(11-9-14)18(22(4,20)21)12-6-7-16(19)17-13(2)3/h8-11,13H,5-7,12H2,1-4H3,(H,17,19).
What are the key properties of 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide has a molecular weight of 326.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 53286515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).