N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide

C12H16ClNOS — CID 63394341

IUPACN-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCl)C2CC2)s1
InChIInChI=1S/C12H16ClNOS/c1-2-10-5-6-11(16-10)12(15)14(8-7-13)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyCCSPAKRYQOOTGY-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.15
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide

N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide (PubChem CID 63394341) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide
PubChem CID63394341
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCl)C2CC2)s1
InChIInChI=1S/C12H16ClNOS/c1-2-10-5-6-11(16-10)12(15)14(8-7-13)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyCCSPAKRYQOOTGY-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.15
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

5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
CID 102634720
N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 102638346
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104974562
N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104555878
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
N-(2-chloroethyl)-N-cyclopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 63394701
N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
CID 65238018
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
CID 60845442
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80641189

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide (CID 63394341) is N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)N(CCCl)C2CC2)s1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide?
The InChIKey is CCSPAKRYQOOTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-2-10-5-6-11(16-10)12(15)14(8-7-13)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide?
N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide has a molecular weight of 257.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 63394341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).