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

C14H19NO2S — CID 86791471

IUPAC3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NC1CCCSC1
InChIInChI=1S/C14H19NO2S/c16-13-6-3-11(4-7-13)5-8-14(17)15-12-2-1-9-18-10-12/h3-4,6-7,12,16H,1-2,5,8-10H2,(H,15,17)
InChIKeyINSCAKUDJWBVTJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.34
Rot. Bonds4

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

3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide (PubChem CID 86791471) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide
PubChem CID86791471
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NC1CCCSC1
InChIInChI=1S/C14H19NO2S/c16-13-6-3-11(4-7-13)5-8-14(17)15-12-2-1-9-18-10-12/h3-4,6-7,12,16H,1-2,5,8-10H2,(H,15,17)
InChIKeyINSCAKUDJWBVTJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
CID 115675030
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764
2,5-dihydroxy-N-(thian-3-yl)benzamide
CID 107723796
4-(thian-3-ylamino)phenol
CID 62873090
(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
CID 104984848
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
CID 62873267
3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
CID 115055960
3-[3-(thian-3-ylamino)phenyl]propanoic acid
CID 122044536
2-(tert-butylamino)-N-(thian-3-yl)acetamide
CID 115674777
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 110483854
4-[3-[[(4R)-oxepan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 129402468

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide (CID 86791471) is 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide is O=C(CCc1ccc(O)cc1)NC1CCCSC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide?
The InChIKey is INSCAKUDJWBVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13-6-3-11(4-7-13)5-8-14(17)15-12-2-1-9-18-10-12/h3-4,6-7,12,16H,1-2,5,8-10H2,(H,15,17).
What are the key properties of 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide?
3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide has a molecular weight of 265.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide is sourced from PubChem (CID 86791471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).