(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide

C14H20N4O2S — CID 97078921

IUPAC(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)N1
InChIInChI=1S/C14H20N4O2S/c19-13(10-8-16-14(20)17-10)15-9-11(12-4-3-7-21-12)18-5-1-2-6-18/h3-4,7,10-11H,1-2,5-6,8-9H2,(H,15,19)(H2,16,17,20)/t10-,11-/m0/s1
InChIKeyGBRWGPZFYYQMNL-QWRGUYRKSA-N
MW308.41 g/mol
LogP0.68
Rot. Bonds5

About (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide

(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide (PubChem CID 97078921) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
PubChem CID97078921
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)N1
InChIInChI=1S/C14H20N4O2S/c19-13(10-8-16-14(20)17-10)15-9-11(12-4-3-7-21-12)18-5-1-2-6-18/h3-4,7,10-11H,1-2,5-6,8-9H2,(H,15,19)(H2,16,17,20)/t10-,11-/m0/s1
InChIKeyGBRWGPZFYYQMNL-QWRGUYRKSA-N
XLogP0.68
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078923
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 128925831
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831481
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39987122
2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119831525
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide (CID 97078921) is (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)N1.
What is the InChIKey of (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide?
The InChIKey is GBRWGPZFYYQMNL-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(10-8-16-14(20)17-10)15-9-11(12-4-3-7-21-12)18-5-1-2-6-18/h3-4,7,10-11H,1-2,5-6,8-9H2,(H,15,19)(H2,16,17,20)/t10-,11-/m0/s1.
What are the key properties of (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide?
(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 97078921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).