N-(3-aminobutyl)-4-thiophen-2-ylbutanamide

C12H20N2OS — CID 63253791

IUPACN-(3-aminobutyl)-4-thiophen-2-ylbutanamide
SMILESCC(N)CCNC(=O)CCCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-10(13)7-8-14-12(15)6-2-4-11-5-3-9-16-11/h3,5,9-10H,2,4,6-8,13H2,1H3,(H,14,15)
InChIKeyIIXXACWZKRKHHC-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds7

About N-(3-aminobutyl)-4-thiophen-2-ylbutanamide

N-(3-aminobutyl)-4-thiophen-2-ylbutanamide (PubChem CID 63253791) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-thiophen-2-ylbutanamide
PubChem CID63253791
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(3-aminobutyl)-4-thiophen-2-ylbutanamide
SMILESCC(N)CCNC(=O)CCCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-10(13)7-8-14-12(15)6-2-4-11-5-3-9-16-11/h3,5,9-10H,2,4,6-8,13H2,1H3,(H,14,15)
InChIKeyIIXXACWZKRKHHC-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-aminobutyl)-4-thiophen-2-ylbutanamide (CID 63253791) is N-(3-aminobutyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-aminobutyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-aminobutyl)-4-thiophen-2-ylbutanamide is CC(N)CCNC(=O)CCCc1cccs1.
What is the InChIKey of N-(3-aminobutyl)-4-thiophen-2-ylbutanamide?
The InChIKey is IIXXACWZKRKHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(13)7-8-14-12(15)6-2-4-11-5-3-9-16-11/h3,5,9-10H,2,4,6-8,13H2,1H3,(H,14,15).
What are the key properties of N-(3-aminobutyl)-4-thiophen-2-ylbutanamide?
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide has a molecular weight of 240.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 63253791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).