N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide

C19H19NO2S — CID 134013428

IUPACN-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H19NO2S/c21-19(9-8-17-10-12-23-15-17)20(14-18-7-4-11-22-18)13-16-5-2-1-3-6-16/h1-7,10-12,15H,8-9,13-14H2
InChIKeyVCSMHMRUMIWADF-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.50
Rot. Bonds7

About N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide

N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide (PubChem CID 134013428) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
PubChem CID134013428
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H19NO2S/c21-19(9-8-17-10-12-23-15-17)20(14-18-7-4-11-22-18)13-16-5-2-1-3-6-16/h1-7,10-12,15H,8-9,13-14H2
InChIKeyVCSMHMRUMIWADF-UHFFFAOYSA-N
XLogP4.50
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 37428744
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 112761159
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
CID 61053856
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 134032585
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide (CID 134013428) is N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide?
The InChIKey is VCSMHMRUMIWADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-19(9-8-17-10-12-23-15-17)20(14-18-7-4-11-22-18)13-16-5-2-1-3-6-16/h1-7,10-12,15H,8-9,13-14H2.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide?
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 134013428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).