N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide

C16H19NO3S — CID 47051152

IUPACN-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NCCc2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-12(21-15-7-5-13(19-2)6-8-15)16(18)17-10-9-14-4-3-11-20-14/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)
InChIKeyAZCRLAHOEWGZGF-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide

N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 47051152) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID47051152
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NCCc2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-12(21-15-7-5-13(19-2)6-8-15)16(18)17-10-9-14-4-3-11-20-14/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)
InChIKeyAZCRLAHOEWGZGF-UHFFFAOYSA-N
XLogP3.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
(2S)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9310385
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 47051152) is N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NCCc2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is AZCRLAHOEWGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12(21-15-7-5-13(19-2)6-8-15)16(18)17-10-9-14-4-3-11-20-14/h3-8,11-12H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 47051152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).