(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide

C15H24N2O3S — CID 142091683

IUPAC(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
SMILESCCS(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-4-21(20)17-14(11(2)3)15(19)16-10-9-12-5-7-13(18)8-6-12/h5-8,11,14,17-18H,4,9-10H2,1-3H3,(H,16,19)/t14-,21?/m0/s1
InChIKeyQIZPVSCLJKEJKK-YXWRBFHGSA-N
MW312.44 g/mol
LogP1.35
Rot. Bonds8

About (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide

(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 142091683) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
PubChem CID142091683
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
SMILESCCS(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-4-21(20)17-14(11(2)3)15(19)16-10-9-12-5-7-13(18)8-6-12/h5-8,11,14,17-18H,4,9-10H2,1-3H3,(H,16,19)/t14-,21?/m0/s1
InChIKeyQIZPVSCLJKEJKK-YXWRBFHGSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(propan-2-ylsulfinylamino)butanamide
CID 67569262
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882
butan-2-yl N-[(2S)-1-[2-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856215
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide (CID 142091683) is (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide is CCS(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)C(C)C.
What is the InChIKey of (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is QIZPVSCLJKEJKK-YXWRBFHGSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-21(20)17-14(11(2)3)15(19)16-10-9-12-5-7-13(18)8-6-12/h5-8,11,14,17-18H,4,9-10H2,1-3H3,(H,16,19)/t14-,21?/m0/s1.
What are the key properties of (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 142091683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).