N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

C17H19FN2O3S — CID 75536610

IUPACN-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1cccs1
InChIInChI=1S/C17H19FN2O3S/c18-12-5-2-1-4-11(12)8-19-13-10-23-14(16(13)21)9-20-17(22)15-6-3-7-24-15/h1-7,13-14,16,19,21H,8-10H2,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyUWGHNTXBILKNOR-FMKPAKJESA-N
MW350.42 g/mol
LogP1.54
Rot. Bonds6

About N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75536610) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75536610
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1cccs1
InChIInChI=1S/C17H19FN2O3S/c18-12-5-2-1-4-11(12)8-19-13-10-23-14(16(13)21)9-20-17(22)15-6-3-7-24-15/h1-7,13-14,16,19,21H,8-10H2,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyUWGHNTXBILKNOR-FMKPAKJESA-N
XLogP1.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 5727075
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367078
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367080
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367081
N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536489
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536590
N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536591
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536592
N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536593
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536595
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]benzamide
CID 75536644
N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536817

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75536610) is N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1cccs1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is UWGHNTXBILKNOR-FMKPAKJESA-N. The full InChI is InChI=1S/C17H19FN2O3S/c18-12-5-2-1-4-11(12)8-19-13-10-23-14(16(13)21)9-20-17(22)15-6-3-7-24-15/h1-7,13-14,16,19,21H,8-10H2,(H,20,22)/t13-,14-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75536610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).