4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide

C18H21NO3S — CID 111442251

IUPAC4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(OCC2CC2)cc1)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-18(21,16-3-2-10-23-16)12-19-17(20)14-6-8-15(9-7-14)22-11-13-4-5-13/h2-3,6-10,13,21H,4-5,11-12H2,1H3,(H,19,20)
InChIKeyOPAZRIYHXFUTAO-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.17
Rot. Bonds7

About 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide

4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide (PubChem CID 111442251) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
PubChem CID111442251
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(OCC2CC2)cc1)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-18(21,16-3-2-10-23-16)12-19-17(20)14-6-8-15(9-7-14)22-11-13-4-5-13/h2-3,6-10,13,21H,4-5,11-12H2,1H3,(H,19,20)
InChIKeyOPAZRIYHXFUTAO-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983254
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide
CID 90499866
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide (CID 111442251) is 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide is CC(O)(CNC(=O)c1ccc(OCC2CC2)cc1)c1cccs1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The InChIKey is OPAZRIYHXFUTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-18(21,16-3-2-10-23-16)12-19-17(20)14-6-8-15(9-7-14)22-11-13-4-5-13/h2-3,6-10,13,21H,4-5,11-12H2,1H3,(H,19,20).
What are the key properties of 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide has a molecular weight of 331.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 111442251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).