4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide

C17H24N2OS — CID 125489038

IUPAC4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc([C@H]2C[C@@H]2NC2CCC2)cs1
InChIInChI=1S/C17H24N2OS/c20-17(19-13-4-1-2-5-13)16-8-11(10-21-16)14-9-15(14)18-12-6-3-7-12/h8,10,12-15,18H,1-7,9H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyWWNDTVLDEKXLOI-CABCVRRESA-N
MW304.46 g/mol
LogP3.42
Rot. Bonds5

About 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide

4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide (PubChem CID 125489038) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide
PubChem CID125489038
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc([C@H]2C[C@@H]2NC2CCC2)cs1
InChIInChI=1S/C17H24N2OS/c20-17(19-13-4-1-2-5-13)16-8-11(10-21-16)14-9-15(14)18-12-6-3-7-12/h8,10,12-15,18H,1-7,9H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyWWNDTVLDEKXLOI-CABCVRRESA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432728
4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 118433197
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 118433148
5-[(1R,2R)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-3-carboxamide
CID 125492639
4-[(1S,2R)-2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-2-carboxamide
CID 140877532
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid
CID 118433215
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734
N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
CID 139384206
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide?
The IUPAC name of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide (CID 125489038) is 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide?
The canonical SMILES for 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide is O=C(NC1CCCC1)c1cc([C@H]2C[C@@H]2NC2CCC2)cs1.
What is the InChIKey of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide?
The InChIKey is WWNDTVLDEKXLOI-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N2OS/c20-17(19-13-4-1-2-5-13)16-8-11(10-21-16)14-9-15(14)18-12-6-3-7-12/h8,10,12-15,18H,1-7,9H2,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide?
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide is sourced from PubChem (CID 125489038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).