N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide

C14H14BrN3O2S — CID 107143415

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C14H14BrN3O2S/c15-12-7-9(8-21-12)13(19)18-11-4-2-1-3-10(11)14(20)17-6-5-16/h1-4,7-8H,5-6,16H2,(H,17,20)(H,18,19)
InChIKeyNFDGLPRNDOOZJP-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide (PubChem CID 107143415) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
PubChem CID107143415
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C14H14BrN3O2S/c15-12-7-9(8-21-12)13(19)18-11-4-2-1-3-10(11)14(20)17-6-5-16/h1-4,7-8H,5-6,16H2,(H,17,20)(H,18,19)
InChIKeyNFDGLPRNDOOZJP-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-bromothiophene-2-carboxamide
CID 107000041
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147
5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 37079607
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 120603872
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 120603890

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide (CID 107143415) is N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide is NCCNC(=O)c1ccccc1NC(=O)c1csc(Br)c1.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide?
The InChIKey is NFDGLPRNDOOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c15-12-7-9(8-21-12)13(19)18-11-4-2-1-3-10(11)14(20)17-6-5-16/h1-4,7-8H,5-6,16H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-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]-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 107143415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).