N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide

C12H16ClNOS — CID 106126254

IUPACN-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C12H16ClNOS/c1-8-6-16-7-11(8)12(15)14-5-9-2-3-10(13)4-9/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyNJNHPTIDBJMTRB-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.19
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide

N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 106126254) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID106126254
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C12H16ClNOS/c1-8-6-16-7-11(8)12(15)14-5-9-2-3-10(13)4-9/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyNJNHPTIDBJMTRB-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79803145
4-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79808514
N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 106127007
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 106127337
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide (CID 106126254) is N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is NJNHPTIDBJMTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-8-6-16-7-11(8)12(15)14-5-9-2-3-10(13)4-9/h6-7,9-10H,2-5H2,1H3,(H,14,15).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 257.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 106126254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).