N-(3-methoxypropyl)thiophene-2-carboxamide

C9H13NO2S — CID 2057652

IUPACN-(3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCCCNC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-12-6-3-5-10-9(11)8-4-2-7-13-8/h2,4,7H,3,5-6H2,1H3,(H,10,11)
InChIKeyURUFWBZQNXQCGB-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.51
Rot. Bonds5

About N-(3-methoxypropyl)thiophene-2-carboxamide

N-(3-methoxypropyl)thiophene-2-carboxamide (PubChem CID 2057652) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)thiophene-2-carboxamide
PubChem CID2057652
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-(3-methoxypropyl)thiophene-2-carboxamide
SMILESCOCCCNC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-12-6-3-5-10-9(11)8-4-2-7-13-8/h2,4,7H,3,5-6H2,1H3,(H,10,11)
InChIKeyURUFWBZQNXQCGB-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.51
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

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
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
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
Thiophene-2-carboxylic acid, morpholide
CID 531921
N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-carboxamide
CID 2891912
N-[(thiophen-2-yl)methyl]acetamide
CID 30617
((2-Thienylcarbonyl)amino)acetic acid
CID 679227

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)thiophene-2-carboxamide (CID 2057652) is N-(3-methoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)thiophene-2-carboxamide is COCCCNC(=O)c1cccs1.
What is the InChIKey of N-(3-methoxypropyl)thiophene-2-carboxamide?
The InChIKey is URUFWBZQNXQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-6-3-5-10-9(11)8-4-2-7-13-8/h2,4,7H,3,5-6H2,1H3,(H,10,11).
What are the key properties of N-(3-methoxypropyl)thiophene-2-carboxamide?
N-(3-methoxypropyl)thiophene-2-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2057652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).