N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide

C13H18ClNOS — CID 102871977

IUPACN-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CCCCl)C1CCC1
InChIInChI=1S/C13H18ClNOS/c14-6-2-7-15(12-3-1-4-12)13(16)9-11-5-8-17-10-11/h5,8,10,12H,1-4,6-7,9H2
InChIKeyRWBPTOUCBOBMEQ-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.30
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide

N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide (PubChem CID 102871977) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide
PubChem CID102871977
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CCCCl)C1CCC1
InChIInChI=1S/C13H18ClNOS/c14-6-2-7-15(12-3-1-4-12)13(16)9-11-5-8-17-10-11/h5,8,10,12H,1-4,6-7,9H2
InChIKeyRWBPTOUCBOBMEQ-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.30
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

N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide
CID 107205870
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
N-methyl-N-piperidin-3-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641261

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide (CID 102871977) is N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide?
The InChIKey is RWBPTOUCBOBMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c14-6-2-7-15(12-3-1-4-12)13(16)9-11-5-8-17-10-11/h5,8,10,12H,1-4,6-7,9H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide?
N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide has a molecular weight of 271.81 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 102871977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).