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

C12H19NO2S — CID 60715014

IUPACN-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
SMILESCC(C)COCCCNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-15-7-4-6-13-12(14)11-5-3-8-16-11/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,13,14)
InChIKeyPZWPQVDCTMOMHF-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.54
Rot. Bonds7

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

N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide (PubChem CID 60715014) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
PubChem CID60715014
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
SMILESCC(C)COCCCNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-15-7-4-6-13-12(14)11-5-3-8-16-11/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,13,14)
InChIKeyPZWPQVDCTMOMHF-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-(3-piperidin-4-yloxypropyl)thiophene-2-carboxamide
CID 63870121
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-[3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111942759
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide (CID 60715014) is N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide is CC(C)COCCCNC(=O)c1cccs1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The InChIKey is PZWPQVDCTMOMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(2)9-15-7-4-6-13-12(14)11-5-3-8-16-11/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 60715014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).