5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide

C13H21NO2S — CID 134055886

IUPAC5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCOCC(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-10(2)9-16-8-4-7-14-13(15)12-6-5-11(3)17-12/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyUNAUFHVDNNYZOK-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.85
Rot. Bonds7

About 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide

5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide (PubChem CID 134055886) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
PubChem CID134055886
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCOCC(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-10(2)9-16-8-4-7-14-13(15)12-6-5-11(3)17-12/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyUNAUFHVDNNYZOK-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylthiophene-2-carboxamide
CID 855035
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
(2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093408
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
N-cycloheptylthiophene-2-carboxamide
CID 2057917
N-[3-(4-morpholinyl)propyl]-2-thiophenecarboxamide
CID 2292963
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
Thiophene-2-carboxylic acid (2-cyclopentyl-ethyl)-amide
CID 774817

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide (CID 134055886) is 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCCCOCC(C)C)s1.
What is the InChIKey of 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The InChIKey is UNAUFHVDNNYZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(2)9-16-8-4-7-14-13(15)12-6-5-11(3)17-12/h5-6,10H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 134055886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).