1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea

C18H27N3O2S — CID 97019953

IUPAC1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
SMILESC[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccsc1
InChIInChI=1S/C18H27N3O2S/c1-13(15-7-9-24-12-15)10-19-18(23)20-16-6-8-21(11-16)17(22)14-4-2-3-5-14/h7,9,12-14,16H,2-6,8,10-11H2,1H3,(H2,19,20,23)/t13-,16+/m0/s1
InChIKeyKYUIGHBOGQVDNR-XJKSGUPXSA-N
MW349.50 g/mol
LogP2.94
Rot. Bonds5

About 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea

1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea (PubChem CID 97019953) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
PubChem CID97019953
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
SMILESC[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccsc1
InChIInChI=1S/C18H27N3O2S/c1-13(15-7-9-24-12-15)10-19-18(23)20-16-6-8-21(11-16)17(22)14-4-2-3-5-14/h7,9,12-14,16H,2-6,8,10-11H2,1H3,(H2,19,20,23)/t13-,16+/m0/s1
InChIKeyKYUIGHBOGQVDNR-XJKSGUPXSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea with MolForge

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161216
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161217
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
1-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234996
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234998
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119808791
(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide
CID 97019926
1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 124588447
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111509669
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874685
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
The IUPAC name of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea (CID 97019953) is 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea.
What is the SMILES notation for 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
The canonical SMILES for 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea is C[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccsc1.
What is the InChIKey of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
The InChIKey is KYUIGHBOGQVDNR-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13(15-7-9-24-12-15)10-19-18(23)20-16-6-8-21(11-16)17(22)14-4-2-3-5-14/h7,9,12-14,16H,2-6,8,10-11H2,1H3,(H2,19,20,23)/t13-,16+/m0/s1.
What are the key properties of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea has a molecular weight of 349.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea is sourced from PubChem (CID 97019953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).