(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H25N3O2S — CID 1468489

IUPAC(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O2S/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h5,8,11,13,15H,1-4,6-7,9-10,12H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyVJPMSWHIGJYJRJ-OAHLLOKOSA-N
MW335.47 g/mol
LogP2.87
Rot. Bonds4

About (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468489) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468489
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O2S/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h5,8,11,13,15H,1-4,6-7,9-10,12H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyVJPMSWHIGJYJRJ-OAHLLOKOSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 46385745
(2R)-1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468558
(2R)-1-N-(2-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1443009
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1443574
(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493408
(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1433469
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
(2S)-1-N-cyclohexyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468475
(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 124721737
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 1468489) is (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)[C@H]1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is VJPMSWHIGJYJRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h5,8,11,13,15H,1-4,6-7,9-10,12H2,(H,18,21)(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).