N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide

C14H14BrN3O2S — CID 107000041

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1sccc1Br
InChIInChI=1S/C14H14BrN3O2S/c15-10-5-8-21-12(10)14(20)18-11-4-2-1-3-9(11)13(19)17-7-6-16/h1-5,8H,6-7,16H2,(H,17,19)(H,18,20)
InChIKeyOFOWHBZVGMWCOF-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide (PubChem CID 107000041) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
PubChem CID107000041
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1sccc1Br
InChIInChI=1S/C14H14BrN3O2S/c15-10-5-8-21-12(10)14(20)18-11-4-2-1-3-9(11)13(19)17-7-6-16/h1-5,8H,6-7,16H2,(H,17,19)(H,18,20)
InChIKeyOFOWHBZVGMWCOF-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415
3-bromo-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007128
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 55240484
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
CID 107000042
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide (CID 107000041) is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide is NCCNC(=O)c1ccccc1NC(=O)c1sccc1Br.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide?
The InChIKey is OFOWHBZVGMWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c15-10-5-8-21-12(10)14(20)18-11-4-2-1-3-9(11)13(19)17-7-6-16/h1-5,8H,6-7,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 107000041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).