N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide

C19H23NO3S — CID 163304702

IUPACN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C19H23NO3S/c21-12-14-5-4-6-15(11-14)20-19(22)18-10-9-16(23-18)13-24-17-7-2-1-3-8-17/h1-3,7-10,14-15,21H,4-6,11-13H2,(H,20,22)/t14-,15-/m1/s1
InChIKeyKTFAUGUOSFKZRM-HUUCEWRRSA-N
MW345.46 g/mol
LogP3.85
Rot. Bonds6

About N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide

N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 163304702) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID163304702
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C19H23NO3S/c21-12-14-5-4-6-15(11-14)20-19(22)18-10-9-16(23-18)13-24-17-7-2-1-3-8-17/h1-3,7-10,14-15,21H,4-6,11-13H2,(H,20,22)/t14-,15-/m1/s1
InChIKeyKTFAUGUOSFKZRM-HUUCEWRRSA-N
XLogP3.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide with MolForge

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Related Compounds

cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 114173157
5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 82041274
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207390
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107
5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
CID 55534850
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 163305949
N-[(3-chlorocyclohexyl)methyl]-2-phenylsulfanylethanamine
CID 114146454
2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 112752696
[4-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl] thiocyanate
CID 2985076

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide (CID 163304702) is N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide is O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(CSc2ccccc2)o1.
What is the InChIKey of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is KTFAUGUOSFKZRM-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H23NO3S/c21-12-14-5-4-6-15(11-14)20-19(22)18-10-9-16(23-18)13-24-17-7-2-1-3-8-17/h1-3,7-10,14-15,21H,4-6,11-13H2,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 163304702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).