N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide

C15H17NO2S2 — CID 111335113

IUPACN-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H17NO2S2/c1-15(18,11-6-4-3-5-7-11)10-16-14(17)13-12(19-2)8-9-20-13/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyYZAGIBNWLNJZJB-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.11
Rot. Bonds5

About N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide

N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 111335113) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID111335113
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C15H17NO2S2/c1-15(18,11-6-4-3-5-7-11)10-16-14(17)13-12(19-2)8-9-20-13/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyYZAGIBNWLNJZJB-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 111458688
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 119429867
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119995733
N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119405175
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide (CID 111335113) is N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is YZAGIBNWLNJZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-15(18,11-6-4-3-5-7-11)10-16-14(17)13-12(19-2)8-9-20-13/h3-9,18H,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 111335113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).