2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C17H17NO3S — CID 94779967

IUPAC2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(C(=O)C2CC2)cc1)NCc1ccco1
InChIInChI=1S/C17H17NO3S/c19-16(18-10-14-2-1-9-21-14)11-22-15-7-5-13(6-8-15)17(20)12-3-4-12/h1-2,5-9,12H,3-4,10-11H2,(H,18,19)
InChIKeyIGIRZANJLUBJEK-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.28
Rot. Bonds7

About 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 94779967) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID94779967
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(C(=O)C2CC2)cc1)NCc1ccco1
InChIInChI=1S/C17H17NO3S/c19-16(18-10-14-2-1-9-21-14)11-22-15-7-5-13(6-8-15)17(20)12-3-4-12/h1-2,5-9,12H,3-4,10-11H2,(H,18,19)
InChIKeyIGIRZANJLUBJEK-UHFFFAOYSA-N
XLogP3.28
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 82164446
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
4-benzoyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 17461318
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
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 94779967) is 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ccc(C(=O)C2CC2)cc1)NCc1ccco1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IGIRZANJLUBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-16(18-10-14-2-1-9-21-14)11-22-15-7-5-13(6-8-15)17(20)12-3-4-12/h1-2,5-9,12H,3-4,10-11H2,(H,18,19).
What are the key properties of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 315.39 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 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 94779967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).