5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

C16H16BrN3O2S — CID 41269492

IUPAC5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C16H16BrN3O2S/c17-14-6-5-13(23-14)16(22)19-11-9-10(15(18)21)3-4-12(11)20-7-1-2-8-20/h3-6,9H,1-2,7-8H2,(H2,18,21)(H,19,22)
InChIKeyORFSJWNBBHLCCV-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.46
Rot. Bonds4

About 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 41269492) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID41269492
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC Name5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C16H16BrN3O2S/c17-14-6-5-13(23-14)16(22)19-11-9-10(15(18)21)3-4-12(11)20-7-1-2-8-20/h3-6,9H,1-2,7-8H2,(H2,18,21)(H,19,22)
InChIKeyORFSJWNBBHLCCV-UHFFFAOYSA-N
XLogP3.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 41270353
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 46700188
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
CID 88852610
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936
3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (CID 41269492) is 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is ORFSJWNBBHLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c17-14-6-5-13(23-14)16(22)19-11-9-10(15(18)21)3-4-12(11)20-7-1-2-8-20/h3-6,9H,1-2,7-8H2,(H2,18,21)(H,19,22).
What are the key properties of 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 394.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 41269492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).