N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide

C16H17NO3S — CID 82164446

IUPACN-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
SMILESCCC(=O)c1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-15(18)12-5-7-14(8-6-12)21-11-16(19)17-10-13-4-3-9-20-13/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyVTJZLJRMAPGJMF-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.28
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide (PubChem CID 82164446) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
PubChem CID82164446
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
SMILESCCC(=O)c1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-15(18)12-5-7-14(8-6-12)21-11-16(19)17-10-13-4-3-9-20-13/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyVTJZLJRMAPGJMF-UHFFFAOYSA-N
XLogP3.28
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 94779967
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79133329
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537321
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide (CID 82164446) is N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide is CCC(=O)c1ccc(SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide?
The InChIKey is VTJZLJRMAPGJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-15(18)12-5-7-14(8-6-12)21-11-16(19)17-10-13-4-3-9-20-13/h3-9H,2,10-11H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide has a molecular weight of 303.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide is sourced from PubChem (CID 82164446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).