N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide

C11H17NO2S — CID 2212554

IUPACN-(3-propan-2-yloxypropyl)thiophene-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(2)14-7-4-6-12-11(13)10-5-3-8-15-10/h3,5,8-9H,4,6-7H2,1-2H3,(H,12,13)
InChIKeySJGXSUSTBXFLPR-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.29
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide

N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide (PubChem CID 2212554) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)thiophene-2-carboxamide
PubChem CID2212554
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(3-propan-2-yloxypropyl)thiophene-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(2)14-7-4-6-12-11(13)10-5-3-8-15-10/h3,5,8-9H,4,6-7H2,1-2H3,(H,12,13)
InChIKeySJGXSUSTBXFLPR-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.29
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-(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-cyclooctylthiophene-2-carboxamide
CID 673377
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide (CID 2212554) is N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide is CC(C)OCCCNC(=O)c1cccs1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide?
The InChIKey is SJGXSUSTBXFLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)14-7-4-6-12-11(13)10-5-3-8-15-10/h3,5,8-9H,4,6-7H2,1-2H3,(H,12,13).
What are the key properties of N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide?
N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2212554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).