(2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H18N2O2S2 — CID 8008530

IUPAC(2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-17(11-12-5-3-9-21-12)15(19)13-6-2-8-18(13)16(20)14-7-4-10-22-14/h3-5,7,9-10,13H,2,6,8,11H2,1H3/t13-/m0/s1
InChIKeyFCWCLQWWSGIACL-ZDUSSCGKSA-N
MW334.47 g/mol
LogP3.07
Rot. Bonds4

About (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 8008530) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID8008530
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name(2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-17(11-12-5-3-9-21-12)15(19)13-6-2-8-18(13)16(20)14-7-4-10-22-14/h3-5,7,9-10,13H,2,6,8,11H2,1H3/t13-/m0/s1
InChIKeyFCWCLQWWSGIACL-ZDUSSCGKSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 8008530) is (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FCWCLQWWSGIACL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-17(11-12-5-3-9-21-12)15(19)13-6-2-8-18(13)16(20)14-7-4-10-22-14/h3-5,7,9-10,13H,2,6,8,11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 8008530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).