3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide

C12H20N2O2S — CID 113480998

IUPAC3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1sccc1N
InChIInChI=1S/C12H20N2O2S/c1-2-3-7-16-8-4-6-14-12(15)11-10(13)5-9-17-11/h5,9H,2-4,6-8,13H2,1H3,(H,14,15)
InChIKeyVNJGANLGIZZABF-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.27
Rot. Bonds8

About 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide

3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide (PubChem CID 113480998) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
PubChem CID113480998
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1sccc1N
InChIInChI=1S/C12H20N2O2S/c1-2-3-7-16-8-4-6-14-12(15)11-10(13)5-9-17-11/h5,9H,2-4,6-8,13H2,1H3,(H,14,15)
InChIKeyVNJGANLGIZZABF-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
3-amino-N-[(4-ethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 61118488
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 110022323
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
3-[(3-butoxypropylamino)methyl]thiophene-2-carboxylic acid
CID 103264727
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide (CID 113480998) is 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide is CCCCOCCCNC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide?
The InChIKey is VNJGANLGIZZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-3-7-16-8-4-6-14-12(15)11-10(13)5-9-17-11/h5,9H,2-4,6-8,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide?
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 113480998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).