N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide

C10H14ClNOS — CID 106845248

IUPACN-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCCCCCl
InChIInChI=1S/C10H14ClNOS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyWDLITRVSKQAZGJ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.81
Rot. Bonds5

About N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide

N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide (PubChem CID 106845248) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
PubChem CID106845248
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCCCCCl
InChIInChI=1S/C10H14ClNOS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyWDLITRVSKQAZGJ-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-4-methylthiophene-3-carboxamide
CID 79802509
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]pentanoic acid
CID 104682724
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide
CID 115456183
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide (CID 106845248) is N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCCCCCl.
What is the InChIKey of N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide?
The InChIKey is WDLITRVSKQAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide?
N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide has a molecular weight of 231.75 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 106845248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).