N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide

C14H15NO2S — CID 96568332

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H](O)c1ccccc1)c1ccsc1
InChIInChI=1S/C14H15NO2S/c16-13(11-4-2-1-3-5-11)6-8-15-14(17)12-7-9-18-10-12/h1-5,7,9-10,13,16H,6,8H2,(H,15,17)/t13-/m0/s1
InChIKeyUXGZABAKHZWBMU-ZDUSSCGKSA-N
MW261.35 g/mol
LogP2.60
Rot. Bonds5

About N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide

N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide (PubChem CID 96568332) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide
PubChem CID96568332
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H](O)c1ccccc1)c1ccsc1
InChIInChI=1S/C14H15NO2S/c16-13(11-4-2-1-3-5-11)6-8-15-14(17)12-7-9-18-10-12/h1-5,7,9-10,13,16H,6,8H2,(H,15,17)/t13-/m0/s1
InChIKeyUXGZABAKHZWBMU-ZDUSSCGKSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2812766
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CID 4408615
N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
CID 25023803
N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide
CID 3126650
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CID 134611913
JUA-UNI-bc099708-1
CID 154706316
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
5-acetyl-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 42942737
4-[2-[(3-Methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 43233742
N-benzhydryl-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 46900085
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CID 46992120

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide (CID 96568332) is N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide is O=C(NCC[C@H](O)c1ccccc1)c1ccsc1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide?
The InChIKey is UXGZABAKHZWBMU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-13(11-4-2-1-3-5-11)6-8-15-14(17)12-7-9-18-10-12/h1-5,7,9-10,13,16H,6,8H2,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]thiophene-3-carboxamide is sourced from PubChem (CID 96568332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).