3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide

C11H13Cl2NOS — CID 102872856

IUPAC3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
SMILESO=C(c1sccc1Cl)N(CCCl)C1CCC1
InChIInChI=1S/C11H13Cl2NOS/c12-5-6-14(8-2-1-3-8)11(15)10-9(13)4-7-16-10/h4,7-8H,1-3,5-6H2
InChIKeyQMRXAFFGYZAGNU-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.63
Rot. Bonds4

About 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide

3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide (PubChem CID 102872856) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
PubChem CID102872856
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
SMILESO=C(c1sccc1Cl)N(CCCl)C1CCC1
InChIInChI=1S/C11H13Cl2NOS/c12-5-6-14(8-2-1-3-8)11(15)10-9(13)4-7-16-10/h4,7-8H,1-3,5-6H2
InChIKeyQMRXAFFGYZAGNU-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80641189
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
N-cyclobutyl-3-ethyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 102867056
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
CID 102872297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide (CID 102872856) is 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide is O=C(c1sccc1Cl)N(CCCl)C1CCC1.
What is the InChIKey of 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide?
The InChIKey is QMRXAFFGYZAGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c12-5-6-14(8-2-1-3-8)11(15)10-9(13)4-7-16-10/h4,7-8H,1-3,5-6H2.
What are the key properties of 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide?
3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide has a molecular weight of 278.20 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide is sourced from PubChem (CID 102872856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).