3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide

C16H26N2O3S — CID 119778978

IUPAC3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
SMILESCC(N)CC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(17)11-15(19)18-9-10-22(20,21)14-7-5-13(6-8-14)16(2,3)4/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyUWVBDHZMAWZUIN-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.61
Rot. Bonds6

About 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide

3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide (PubChem CID 119778978) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
PubChem CID119778978
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
SMILESCC(N)CC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(17)11-15(19)18-9-10-22(20,21)14-7-5-13(6-8-14)16(2,3)4/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyUWVBDHZMAWZUIN-UHFFFAOYSA-N
XLogP1.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
(2S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylsulfanylpropanamide
CID 95305165
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591
(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide
CID 167764822
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64644839
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110614832
2-amino-3-(4-tert-butylphenyl)sulfonylpropanoic acid
CID 65443030
(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 124735778

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide (CID 119778978) is 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide is CC(N)CC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide?
The InChIKey is UWVBDHZMAWZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(17)11-15(19)18-9-10-22(20,21)14-7-5-13(6-8-14)16(2,3)4/h5-8,12H,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide?
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide has a molecular weight of 326.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide is sourced from PubChem (CID 119778978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).