(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide

C17H19ClN4O3S — CID 8562439

IUPAC(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O3S/c18-11-5-1-2-6-12(11)22-14(23)9-20-17(22)26-10-15(24)21-8-4-3-7-13(21)16(19)25/h1-2,5-6,13H,3-4,7-10H2,(H2,19,25)/t13-/m1/s1
InChIKeyLMTYCEAEHHHMGA-CYBMUJFWSA-N
MW394.88 g/mol
LogP1.64
Rot. Bonds4

About (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide

(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide (PubChem CID 8562439) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
PubChem CID8562439
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O3S/c18-11-5-1-2-6-12(11)22-14(23)9-20-17(22)26-10-15(24)21-8-4-3-7-13(21)16(19)25/h1-2,5-6,13H,3-4,7-10H2,(H2,19,25)/t13-/m1/s1
InChIKeyLMTYCEAEHHHMGA-CYBMUJFWSA-N
XLogP1.64
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
CID 8562674
(2R)-1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide
CID 8848818
(2S)-1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide
CID 8848817
2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide
CID 8562604
2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8562642
(2S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-2-carboxamide
CID 9006524
(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide
CID 8807529
(2R)-1-[2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8580975
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
(2R)-1-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 40748115
(2S)-1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-2-carboxamide
CID 9267463

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide (CID 8562439) is (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide is NC(=O)[C@H]1CCCCN1C(=O)CSC1=NCC(=O)N1c1ccccc1Cl.
What is the InChIKey of (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
The InChIKey is LMTYCEAEHHHMGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-11-5-1-2-6-12(11)22-14(23)9-20-17(22)26-10-15(24)21-8-4-3-7-13(21)16(19)25/h1-2,5-6,13H,3-4,7-10H2,(H2,19,25)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 8562439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).