N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide

C15H18N2O3S — CID 31638154

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O3S/c18-14(7-1-5-13-6-3-9-21-13)17-11-15(19)16-10-12-4-2-8-20-12/h2-4,6,8-9H,1,5,7,10-11H2,(H,16,19)(H,17,18)
InChIKeyHZQIXKZJVAUCAR-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds8

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide (PubChem CID 31638154) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
PubChem CID31638154
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O3S/c18-14(7-1-5-13-6-3-9-21-13)17-11-15(19)16-10-12-4-2-8-20-12/h2-4,6,8-9H,1,5,7,10-11H2,(H,16,19)(H,17,18)
InChIKeyHZQIXKZJVAUCAR-UHFFFAOYSA-N
XLogP2.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 9080643
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
N-[4-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38743043
N-(furan-2-ylmethyl)-2-thiophen-2-ylsulfinylacetamide
CID 75430243
N-(furan-2-ylmethyl)-2-[(R)-thiophen-2-ylsulfinyl]acetamide
CID 97325274
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide (CID 31638154) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCC(=O)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is HZQIXKZJVAUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-14(7-1-5-13-6-3-9-21-13)17-11-15(19)16-10-12-4-2-8-20-12/h2-4,6,8-9H,1,5,7,10-11H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 306.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 31638154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).