N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide

C13H20ClNOS — CID 107157520

IUPACN-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(Cl)CC(C)C)s1
InChIInChI=1S/C13H20ClNOS/c1-4-11-5-6-12(17-11)13(16)15-8-10(14)7-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyKWDPGJGPRHJKKJ-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.69
Rot. Bonds6

About N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide

N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide (PubChem CID 107157520) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide
PubChem CID107157520
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC NameN-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(Cl)CC(C)C)s1
InChIInChI=1S/C13H20ClNOS/c1-4-11-5-6-12(17-11)13(16)15-8-10(14)7-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyKWDPGJGPRHJKKJ-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.69
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

5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009173
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
CID 63298785
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
CID 107847091
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 47114781
N-(4-bromo-2,2-dimethylbutyl)-5-ethylthiophene-2-carboxamide
CID 106143771
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide (CID 107157520) is N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCC(Cl)CC(C)C)s1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is KWDPGJGPRHJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-4-11-5-6-12(17-11)13(16)15-8-10(14)7-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide?
N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 273.83 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 107157520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).