1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea

C18H27N3O2S — CID 94114826

IUPAC1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea
SMILESO=C(NCCC(=O)N1CCC[C@H]1c1ccsc1)NC1CCCCC1
InChIInChI=1S/C18H27N3O2S/c22-17(21-11-4-7-16(21)14-9-12-24-13-14)8-10-19-18(23)20-15-5-2-1-3-6-15/h9,12-13,15-16H,1-8,10-11H2,(H2,19,20,23)/t16-/m0/s1
InChIKeyCCGRUZCBPQGPHG-INIZCTEOSA-N
MW349.50 g/mol
LogP3.43
Rot. Bonds5

About 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea

1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea (PubChem CID 94114826) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea
PubChem CID94114826
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea
SMILESO=C(NCCC(=O)N1CCC[C@H]1c1ccsc1)NC1CCCCC1
InChIInChI=1S/C18H27N3O2S/c22-17(21-11-4-7-16(21)14-9-12-24-13-14)8-10-19-18(23)20-15-5-2-1-3-6-15/h9,12-13,15-16H,1-8,10-11H2,(H2,19,20,23)/t16-/m0/s1
InChIKeyCCGRUZCBPQGPHG-INIZCTEOSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea with MolForge

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Related Compounds

N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 47036904
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
CID 94117741
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
1-cyclohexyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]urea
CID 60541219
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea (CID 94114826) is 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea is O=C(NCCC(=O)N1CCC[C@H]1c1ccsc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea?
The InChIKey is CCGRUZCBPQGPHG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(21-11-4-7-16(21)14-9-12-24-13-14)8-10-19-18(23)20-15-5-2-1-3-6-15/h9,12-13,15-16H,1-8,10-11H2,(H2,19,20,23)/t16-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea?
1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea has a molecular weight of 349.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea is sourced from PubChem (CID 94114826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).