N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide

C18H17NO3S — CID 163833903

IUPACN-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CC=C(Sc3ccccc3)O2)c1
InChIInChI=1S/C18H17NO3S/c1-21-14-7-5-6-13(12-14)19-18(20)16-10-11-17(22-16)23-15-8-3-2-4-9-15/h2-9,11-12,16H,10H2,1H3,(H,19,20)
InChIKeyOGANFMYTWAJKJI-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.06
Rot. Bonds5

About N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide

N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide (PubChem CID 163833903) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide
PubChem CID163833903
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CC=C(Sc3ccccc3)O2)c1
InChIInChI=1S/C18H17NO3S/c1-21-14-7-5-6-13(12-14)19-18(20)16-10-11-17(22-16)23-15-8-3-2-4-9-15/h2-9,11-12,16H,10H2,1H3,(H,19,20)
InChIKeyOGANFMYTWAJKJI-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide
CID 826005
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
6-[(3-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 4744744
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17485174
(2R)-N-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41178486
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
6-[(3-methoxyphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
CID 3104487
(1S,2R,3S,4S)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51021594
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide (CID 163833903) is N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide is COc1cccc(NC(=O)C2CC=C(Sc3ccccc3)O2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide?
The InChIKey is OGANFMYTWAJKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-21-14-7-5-6-13(12-14)19-18(20)16-10-11-17(22-16)23-15-8-3-2-4-9-15/h2-9,11-12,16H,10H2,1H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide?
N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide is sourced from PubChem (CID 163833903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).