N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide

C12H13NO2S2 — CID 71787789

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(O)c1cccs1)c1ccsc1
InChIInChI=1S/C12H13NO2S2/c14-10(11-2-1-6-17-11)3-5-13-12(15)9-4-7-16-8-9/h1-2,4,6-8,10,14H,3,5H2,(H,13,15)
InChIKeyYRVKAPRBKHNTBZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.66
Rot. Bonds5

About N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide (PubChem CID 71787789) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide
PubChem CID71787789
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(O)c1cccs1)c1ccsc1
InChIInChI=1S/C12H13NO2S2/c14-10(11-2-1-6-17-11)3-5-13-12(15)9-4-7-16-8-9/h1-2,4,6-8,10,14H,3,5H2,(H,13,15)
InChIKeyYRVKAPRBKHNTBZ-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
Isoquinolin-1(2H)-ones, 6
CID 134611913
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 52992593
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(trifluoromethyl)benzamide
CID 71787829
N-[3-hydroxy-3-(thiophen-3-yl)propyl]-2-(trifluoromethyl)benzamide
CID 86264106
N-[(S)-2-hydroxy-2-(3-methyl-2-thienyl)ethyl]2,6-difluorobenzamide
CID 95982652
N-[(S)-3-hydroxy-3-(2-thienyl)propyl]-4-methyl-2-thenamide
CID 96350392
N-({5-[(S)-hydroxy(3-thienyl)methyl]-2-thienyl}methyl)p-(trifluoromethyl)benzamide
CID 99882696
N-[(S)-3-hydroxy-3-(3-thienyl)propyl]2,6-difluorobenzamide
CID 99981002
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-thenamide
CID 100724347
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(methylthio)benzamide
CID 52992609

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide (CID 71787789) is N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide is O=C(NCCC(O)c1cccs1)c1ccsc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide?
The InChIKey is YRVKAPRBKHNTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c14-10(11-2-1-6-17-11)3-5-13-12(15)9-4-7-16-8-9/h1-2,4,6-8,10,14H,3,5H2,(H,13,15).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 71787789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).