1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide

C17H22N2O2S — CID 71979802

IUPAC1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccsc2)c(C)n1C1CC1
InChIInChI=1S/C17H22N2O2S/c1-11-8-15(12(2)19(11)14-4-5-14)16(20)18-10-17(3,21)13-6-7-22-9-13/h6-9,14,21H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyAWLKSFQYNCZPKN-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.14
Rot. Bonds5

About 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 71979802) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID71979802
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccsc2)c(C)n1C1CC1
InChIInChI=1S/C17H22N2O2S/c1-11-8-15(12(2)19(11)14-4-5-14)16(20)18-10-17(3,21)13-6-7-22-9-13/h6-9,14,21H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyAWLKSFQYNCZPKN-UHFFFAOYSA-N
XLogP3.14
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
3-tert-butyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 111452270
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111451693

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide (CID 71979802) is 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC(C)(O)c2ccsc2)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is AWLKSFQYNCZPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-8-15(12(2)19(11)14-4-5-14)16(20)18-10-17(3,21)13-6-7-22-9-13/h6-9,14,21H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 71979802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).