N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide

C18H22N2O3S — CID 162798738

IUPACN-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(CNC2COC(CNC(=O)c3cccs3)C2O)cc1
InChIInChI=1S/C18H22N2O3S/c1-12-4-6-13(7-5-12)9-19-14-11-23-15(17(14)21)10-20-18(22)16-3-2-8-24-16/h2-8,14-15,17,19,21H,9-11H2,1H3,(H,20,22)
InChIKeyWGRJZZBBBPDABA-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.70
Rot. Bonds6

About N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 162798738) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID162798738
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(CNC2COC(CNC(=O)c3cccs3)C2O)cc1
InChIInChI=1S/C18H22N2O3S/c1-12-4-6-13(7-5-12)9-19-14-11-23-15(17(14)21)10-20-18(22)16-3-2-8-24-16/h2-8,14-15,17,19,21H,9-11H2,1H3,(H,20,22)
InChIKeyWGRJZZBBBPDABA-UHFFFAOYSA-N
XLogP1.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
CID 162969601
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 162799473
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 125417244
N-[[4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 162789967
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
CID 162970604
N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
CID 162789736
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536753

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 162798738) is N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide is Cc1ccc(CNC2COC(CNC(=O)c3cccs3)C2O)cc1.
What is the InChIKey of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is WGRJZZBBBPDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-4-6-13(7-5-12)9-19-14-11-23-15(17(14)21)10-20-18(22)16-3-2-8-24-16/h2-8,14-15,17,19,21H,9-11H2,1H3,(H,20,22).
What are the key properties of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 162798738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).