2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

C14H18N2O2S — CID 54869064

IUPAC2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(N)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H18N2O2S/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12/h3-8,13H,2,9-10,15H2,1H3
InChIKeyLNUJLMABWUFQSK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.61
Rot. Bonds6

About 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 54869064) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID54869064
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(N)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H18N2O2S/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12/h3-8,13H,2,9-10,15H2,1H3
InChIKeyLNUJLMABWUFQSK-UHFFFAOYSA-N
XLogP2.61
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55125927
(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 61164432
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
CID 104903015
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 62839379
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 54869064) is 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is CCC(N)C(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is LNUJLMABWUFQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12/h3-8,13H,2,9-10,15H2,1H3.
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 278.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 54869064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).