N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

C19H27N3O2S — CID 9446321

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27N3O2S/c23-18(14-22-12-4-8-16(22)17-9-5-13-25-17)21-19(24)20-11-10-15-6-2-1-3-7-15/h5-6,9,13,16H,1-4,7-8,10-12,14H2,(H2,20,21,23,24)/t16-/m0/s1
InChIKeyHAVDBNOBTIVAIO-INIZCTEOSA-N
MW361.51 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 9446321) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
PubChem CID9446321
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H27N3O2S/c23-18(14-22-12-4-8-16(22)17-9-5-13-25-17)21-19(24)20-11-10-15-6-2-1-3-7-15/h5-6,9,13,16H,1-4,7-8,10-12,14H2,(H2,20,21,23,24)/t16-/m0/s1
InChIKeyHAVDBNOBTIVAIO-INIZCTEOSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002665
N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703418
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630880
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 56578799
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26546400
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 18196445
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084867
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17398689
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(cyclooctylamino)acetamide
CID 9265253

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (CID 9446321) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1c1cccs1)NC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is HAVDBNOBTIVAIO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-18(14-22-12-4-8-16(22)17-9-5-13-25-17)21-19(24)20-11-10-15-6-2-1-3-7-15/h5-6,9,13,16H,1-4,7-8,10-12,14H2,(H2,20,21,23,24)/t16-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 361.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 9446321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).