4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide

C12H16BrNO2S — CID 154795317

IUPAC4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cc(Br)cs1
InChIInChI=1S/C12H16BrNO2S/c13-10-6-11(17-8-10)12(15)14-4-1-5-16-7-9-2-3-9/h6,8-9H,1-5,7H2,(H,14,15)
InChIKeyAFIMBBCAEFBVES-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.06
Rot. Bonds7

About 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide

4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide (PubChem CID 154795317) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
PubChem CID154795317
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cc(Br)cs1
InChIInChI=1S/C12H16BrNO2S/c13-10-6-11(17-8-10)12(15)14-4-1-5-16-7-9-2-3-9/h6,8-9H,1-5,7H2,(H,14,15)
InChIKeyAFIMBBCAEFBVES-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-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

2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide
CID 55929254
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide
CID 18120944
4-bromo-N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]thiophene-2-carboxamide
CID 122160671
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 55410424
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide (CID 154795317) is 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide is O=C(NCCCOCC1CC1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide?
The InChIKey is AFIMBBCAEFBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-10-6-11(17-8-10)12(15)14-4-1-5-16-7-9-2-3-9/h6,8-9H,1-5,7H2,(H,14,15).
What are the key properties of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide?
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 154795317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).