(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide

C19H25N3O4S2 — CID 97004882

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)no1
InChIInChI=1S/C19H25N3O4S2/c1-13-9-17(21-26-13)20-19(24)14(2)28-12-18(23)22(10-15-5-3-7-25-15)11-16-6-4-8-27-16/h4,6,8-9,14-15H,3,5,7,10-12H2,1-2H3,(H,20,21,24)/t14-,15+/m1/s1
InChIKeyVQDANHOWVDNWEJ-CABCVRRESA-N
MW423.56 g/mol
LogP3.31
Rot. Bonds9

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide (PubChem CID 97004882) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide
PubChem CID97004882
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)no1
InChIInChI=1S/C19H25N3O4S2/c1-13-9-17(21-26-13)20-19(24)14(2)28-12-18(23)22(10-15-5-3-7-25-15)11-16-6-4-8-27-16/h4,6,8-9,14-15H,3,5,7,10-12H2,1-2H3,(H,20,21,24)/t14-,15+/m1/s1
InChIKeyVQDANHOWVDNWEJ-CABCVRRESA-N
XLogP3.31
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide 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-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3662626
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55389090
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
3-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528963
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[3-(thiophene-2-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]ethyl]sulfanylpropanamide
CID 55505440
3-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55567666

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide (CID 97004882) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide is Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)no1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide?
The InChIKey is VQDANHOWVDNWEJ-CABCVRRESA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-13-9-17(21-26-13)20-19(24)14(2)28-12-18(23)22(10-15-5-3-7-25-15)11-16-6-4-8-27-16/h4,6,8-9,14-15H,3,5,7,10-12H2,1-2H3,(H,20,21,24)/t14-,15+/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide has a molecular weight of 423.56 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanamide is sourced from PubChem (CID 97004882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).