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

C17H20N2O3S — CID 75536598

IUPACN-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1cccs1
InChIInChI=1S/C17H20N2O3S/c20-16-13(18-9-12-5-2-1-3-6-12)11-22-14(16)10-19-17(21)15-7-4-8-23-15/h1-8,13-14,16,18,20H,9-11H2,(H,19,21)/t13-,14-,16+/m1/s1
InChIKeyDOIRSSYMZFBGNI-FMKPAKJESA-N
MW332.42 g/mol
LogP1.40
Rot. Bonds6

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

N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75536598) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75536598
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1cccs1
InChIInChI=1S/C17H20N2O3S/c20-16-13(18-9-12-5-2-1-3-6-12)11-22-14(16)10-19-17(21)15-7-4-8-23-15/h1-8,13-14,16,18,20H,9-11H2,(H,19,21)/t13-,14-,16+/m1/s1
InChIKeyDOIRSSYMZFBGNI-FMKPAKJESA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 162798738
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
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-benzylthiophene-2-carboxamide
CID 574227
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162789942
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
N-[[4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 162789967
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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75536598) is N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1cccs1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is DOIRSSYMZFBGNI-FMKPAKJESA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-16-13(18-9-12-5-2-1-3-6-12)11-22-14(16)10-19-17(21)15-7-4-8-23-15/h1-8,13-14,16,18,20H,9-11H2,(H,19,21)/t13-,14-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 1.40, 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-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75536598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).