4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide

C15H21NO4S — CID 91762413

IUPAC4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(SCCO)cc1
InChIInChI=1S/C15H21NO4S/c1-19-14-10-20-8-6-13(14)16-15(18)11-2-4-12(5-3-11)21-9-7-17/h2-5,13-14,17H,6-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyNSLZBQPHNFDCNE-ZIAGYGMSSA-N
MW311.40 g/mol
LogP1.30
Rot. Bonds6

About 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide

4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide (PubChem CID 91762413) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
PubChem CID91762413
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(SCCO)cc1
InChIInChI=1S/C15H21NO4S/c1-19-14-10-20-8-6-13(14)16-15(18)11-2-4-12(5-3-11)21-9-7-17/h2-5,13-14,17H,6-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyNSLZBQPHNFDCNE-ZIAGYGMSSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
CID 77090043
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide
CID 91776814
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide (CID 91762413) is 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide is CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(SCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The InChIKey is NSLZBQPHNFDCNE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-19-14-10-20-8-6-13(14)16-15(18)11-2-4-12(5-3-11)21-9-7-17/h2-5,13-14,17H,6-10H2,1H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide has a molecular weight of 311.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide is sourced from PubChem (CID 91762413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).