(2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C16H15BrN2O2S — CID 1203466

IUPAC(2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H15BrN2O2S/c17-11-5-7-12(8-6-11)18-15(20)13-3-1-9-19(13)16(21)14-4-2-10-22-14/h2,4-8,10,13H,1,3,9H2,(H,18,20)/t13-/m0/s1
InChIKeyUQNZFYXKONVEBC-ZDUSSCGKSA-N
MW379.28 g/mol
LogP3.75
Rot. Bonds3

About (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 1203466) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID1203466
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name(2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H15BrN2O2S/c17-11-5-7-12(8-6-11)18-15(20)13-3-1-9-19(13)16(21)14-4-2-10-22-14/h2,4-8,10,13H,1,3,9H2,(H,18,20)/t13-/m0/s1
InChIKeyUQNZFYXKONVEBC-ZDUSSCGKSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 1203466) is (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UQNZFYXKONVEBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c17-11-5-7-12(8-6-11)18-15(20)13-3-1-9-19(13)16(21)14-4-2-10-22-14/h2,4-8,10,13H,1,3,9H2,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 379.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 1203466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).