N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide

C18H21NO4S — CID 131905397

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSc2ccc(C)cc2)o1
InChIInChI=1S/C18H21NO4S/c1-12-3-6-14(7-4-12)24-11-13-5-8-16(23-13)18(20)19-15-9-22-10-17(15)21-2/h3-8,15,17H,9-11H2,1-2H3,(H,19,20)/t15-,17-/m0/s1
InChIKeyJSFLSOFWZWRYEY-RDJZCZTQSA-N
MW347.44 g/mol
LogP3.02
Rot. Bonds6

About N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide

N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 131905397) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
PubChem CID131905397
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSc2ccc(C)cc2)o1
InChIInChI=1S/C18H21NO4S/c1-12-3-6-14(7-4-12)24-11-13-5-8-16(23-13)18(20)19-15-9-22-10-17(15)21-2/h3-8,15,17H,9-11H2,1-2H3,(H,19,20)/t15-,17-/m0/s1
InChIKeyJSFLSOFWZWRYEY-RDJZCZTQSA-N
XLogP3.02
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-methoxyoxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
CID 133121555
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 50981113
N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 2985786
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 135101820
5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
CID 122564714
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 163304702
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
CID 46996091
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (CID 131905397) is N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is CO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSc2ccc(C)cc2)o1.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is JSFLSOFWZWRYEY-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-3-6-14(7-4-12)24-11-13-5-8-16(23-13)18(20)19-15-9-22-10-17(15)21-2/h3-8,15,17H,9-11H2,1-2H3,(H,19,20)/t15-,17-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 131905397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).