(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C17H17ClN2O2S — CID 124619301

IUPAC(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C17H17ClN2O2S/c1-20-14(6-7-15(20)21)17(22)19-16(12-8-9-23-10-12)11-2-4-13(18)5-3-11/h2-5,8-10,14,16H,6-7H2,1H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyKISXVPSKNPXYRO-ZBFHGGJFSA-N
MW348.86 g/mol
LogP3.23
Rot. Bonds4

About (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 124619301) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID124619301
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C17H17ClN2O2S/c1-20-14(6-7-15(20)21)17(22)19-16(12-8-9-23-10-12)11-2-4-13(18)5-3-11/h2-5,8-10,14,16H,6-7H2,1H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyKISXVPSKNPXYRO-ZBFHGGJFSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 124619301) is (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CC[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KISXVPSKNPXYRO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-20-14(6-7-15(20)21)17(22)19-16(12-8-9-23-10-12)11-2-4-13(18)5-3-11/h2-5,8-10,14,16H,6-7H2,1H3,(H,19,22)/t14-,16+/m1/s1.
What are the key properties of (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 124619301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).