(2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C18H26N2O2S — CID 42618110

IUPAC(2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C18H26N2O2S/c21-17(12-14-6-2-1-3-7-14)20-10-4-9-16(20)18(22)19-13-15-8-5-11-23-15/h5,8,11,14,16H,1-4,6-7,9-10,12-13H2,(H,19,22)/t16-/m0/s1
InChIKeyRTBWPTBJKSHEBQ-INIZCTEOSA-N
MW334.49 g/mol
LogP3.33
Rot. Bonds5

About (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 42618110) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID42618110
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C18H26N2O2S/c21-17(12-14-6-2-1-3-7-14)20-10-4-9-16(20)18(22)19-13-15-8-5-11-23-15/h5,8,11,14,16H,1-4,6-7,9-10,12-13H2,(H,19,22)/t16-/m0/s1
InChIKeyRTBWPTBJKSHEBQ-INIZCTEOSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 42618110) is (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)CC1CCCCC1.
What is the InChIKey of (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is RTBWPTBJKSHEBQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17(12-14-6-2-1-3-7-14)20-10-4-9-16(20)18(22)19-13-15-8-5-11-23-15/h5,8,11,14,16H,1-4,6-7,9-10,12-13H2,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42618110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).