N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide

C16H19NO2S — CID 97228127

IUPACN-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H](C)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-11-9-20-10-14(11)16(19)17-12(2)8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyHSYCQGOUJKPIOY-DOMZBBRYSA-N
MW289.40 g/mol
LogP3.30
Rot. Bonds5

About N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide

N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide (PubChem CID 97228127) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
PubChem CID97228127
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H](C)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-11-9-20-10-14(11)16(19)17-12(2)8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyHSYCQGOUJKPIOY-DOMZBBRYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
CID 120636797
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
4-acetyl-N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 97228132
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide
CID 79808144
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097
N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 107860042
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
CID 120501802
6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
CID 97228107
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4S)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224444
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224446
N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 71919961

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide (CID 97228127) is N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)N[C@H](C)C[C@H](O)c1ccccc1.
What is the InChIKey of N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide?
The InChIKey is HSYCQGOUJKPIOY-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-9-20-10-14(11)16(19)17-12(2)8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,17,19)/t12-,15+/m1/s1.
What are the key properties of N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide?
N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 97228127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).