N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide

C10H9BrN2O2S — CID 115184721

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide
SMILESN#CC1(C(=O)NCc2cc(Br)cs2)COC1
InChIInChI=1S/C10H9BrN2O2S/c11-7-1-8(16-3-7)2-13-9(14)10(4-12)5-15-6-10/h1,3H,2,5-6H2,(H,13,14)
InChIKeyWLIZQTAKDJXEAM-UHFFFAOYSA-N
MW301.17 g/mol
LogP1.67
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide (PubChem CID 115184721) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide
PubChem CID115184721
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide
SMILESN#CC1(C(=O)NCc2cc(Br)cs2)COC1
InChIInChI=1S/C10H9BrN2O2S/c11-7-1-8(16-3-7)2-13-9(14)10(4-12)5-15-6-10/h1,3H,2,5-6H2,(H,13,14)
InChIKeyWLIZQTAKDJXEAM-UHFFFAOYSA-N
XLogP1.67
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide
CID 115184750
N-[(4-bromothiophen-2-yl)methyl]-1-carbamothioylcyclobutane-1-carboxamide
CID 80591384
1-[(4-bromothiophen-2-yl)methyl]-3-(4-cyanophenyl)urea
CID 47253654
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
1-[(4-bromothiophen-2-yl)methyl]-3-(3-hydroxypropyl)urea
CID 110894395
N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242573
3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide
CID 115184813
cis-(1S,2R)-2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114092399
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
2-(1-adamantyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 112729654

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide (CID 115184721) is N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide is N#CC1(C(=O)NCc2cc(Br)cs2)COC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide?
The InChIKey is WLIZQTAKDJXEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c11-7-1-8(16-3-7)2-13-9(14)10(4-12)5-15-6-10/h1,3H,2,5-6H2,(H,13,14).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide is sourced from PubChem (CID 115184721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).