N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide

C22H24N2O3S2 — CID 75536489

IUPACN-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2cccs2)Cc2cccs2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C22H24N2O3S2/c25-21-19(15-27-20(21)12-23-22(26)16-6-2-1-3-7-16)24(13-17-8-4-10-28-17)14-18-9-5-11-29-18/h1-11,19-21,25H,12-15H2,(H,23,26)/t19-,20-,21+/m1/s1
InChIKeyXHEICOJWJNPMHY-NJYVYQBISA-N
MW428.58 g/mol
LogP3.37
Rot. Bonds8

About N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide

N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 75536489) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID75536489
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2cccs2)Cc2cccs2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C22H24N2O3S2/c25-21-19(15-27-20(21)12-23-22(26)16-6-2-1-3-7-16)24(13-17-8-4-10-28-17)14-18-9-5-11-29-18/h1-11,19-21,25H,12-15H2,(H,23,26)/t19-,20-,21+/m1/s1
InChIKeyXHEICOJWJNPMHY-NJYVYQBISA-N
XLogP3.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide 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

Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-phenyl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3211236
Thiophene-2-carboxylic acid [((4-methyl-benzyl)-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215855
Thiophene-2-carboxylic acid [(benzyl-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215856
N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 155530355
N-[1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 5727075
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-(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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 75536489) is N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](N(Cc2cccs2)Cc2cccs2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is XHEICOJWJNPMHY-NJYVYQBISA-N. The full InChI is InChI=1S/C22H24N2O3S2/c25-21-19(15-27-20(21)12-23-22(26)16-6-2-1-3-7-16)24(13-17-8-4-10-28-17)14-18-9-5-11-29-18/h1-11,19-21,25H,12-15H2,(H,23,26)/t19-,20-,21+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).