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

C16H15BrN2O2S — CID 46756548

IUPACN-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN1C(=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)
InChIKeyUQNZFYXKONVEBC-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.75
Rot. Bonds3

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

N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 46756548) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID46756548
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC NameN-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN1C(=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)
InChIKeyUQNZFYXKONVEBC-UHFFFAOYSA-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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Related Compounds

Tibrofan
CID 27448
N-(4-bromophenyl)thiophene-2-carboxamide
CID 531926
4-(4,5-Dibromothiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2100759
5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 1246592
N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 4785348
N'-(4-bromophenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]oxamide
CID 2931346
2-(4-Bromoanilino)-1-(5-bromothiophen-2-yl)ethanone
CID 3648468
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25163761
N-(3-bromophenyl)thiophene-2-carboxamide
CID 743465
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2998962
N-[(Cyclopentylcarbamoyl)methyl]-N-(3-fluorophenyl)-2-(thiophen-2-ylformamido)acetamide
CID 3211159
N-[(Cyclopentylcarbamoyl)methyl]-N-(4-fluorophenyl)-2-(thiophen-2-ylformamido)acetamide
CID 3211169

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 46756548) is N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UQNZFYXKONVEBC-UHFFFAOYSA-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).
What are the key properties of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
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 N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46756548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).