2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide

C14H20N2O2S — CID 114350784

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1CCSCC1
InChIInChI=1S/C14H20N2O2S/c15-13(9-10-1-3-12(17)4-2-10)14(18)16-11-5-7-19-8-6-11/h1-4,11,13,17H,5-9,15H2,(H,16,18)
InChIKeyINIBCNAMXLCESM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide (PubChem CID 114350784) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
PubChem CID114350784
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1CCSCC1
InChIInChI=1S/C14H20N2O2S/c15-13(9-10-1-3-12(17)4-2-10)14(18)16-11-5-7-19-8-6-11/h1-4,11,13,17H,5-9,15H2,(H,16,18)
InChIKeyINIBCNAMXLCESM-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 61149291
(2S)-2-amino-N-(3-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 61156321
(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 114350623
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 77014767
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(oxan-4-ylmethyl)propanamide
CID 104905171
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106255831

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide (CID 114350784) is 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide is NC(Cc1ccc(O)cc1)C(=O)NC1CCSCC1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide?
The InChIKey is INIBCNAMXLCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-13(9-10-1-3-12(17)4-2-10)14(18)16-11-5-7-19-8-6-11/h1-4,11,13,17H,5-9,15H2,(H,16,18).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide has a molecular weight of 280.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide is sourced from PubChem (CID 114350784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).