3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide

C10H13Cl2NO2S — CID 106307128

IUPAC3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCOCCCl)c1sccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c11-3-6-15-5-1-4-13-10(14)9-8(12)2-7-16-9/h2,7H,1,3-6H2,(H,13,14)
InChIKeyWVPKEWWSSVPNLN-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.78
Rot. Bonds7

About 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide

3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide (PubChem CID 106307128) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
PubChem CID106307128
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCOCCCl)c1sccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c11-3-6-15-5-1-4-13-10(14)9-8(12)2-7-16-9/h2,7H,1,3-6H2,(H,13,14)
InChIKeyWVPKEWWSSVPNLN-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[3-(2-chloroethoxy)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

N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645328
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
CID 80645274
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 113480998
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide
CID 106306811
N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 110022323
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide (CID 106307128) is 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide is O=C(NCCCOCCCl)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide?
The InChIKey is WVPKEWWSSVPNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c11-3-6-15-5-1-4-13-10(14)9-8(12)2-7-16-9/h2,7H,1,3-6H2,(H,13,14).
What are the key properties of 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide?
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide has a molecular weight of 282.19 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 106307128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).