N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide

C20H23NO2S — CID 75538689

IUPACN-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2S/c22-19(15-24-18-9-5-2-6-10-18)21-16-20(11-13-23-14-12-20)17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,22)
InChIKeyLTIXZYQCIGBAHI-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.64
Rot. Bonds6

About N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide

N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide (PubChem CID 75538689) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
PubChem CID75538689
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2S/c22-19(15-24-18-9-5-2-6-10-18)21-16-20(11-13-23-14-12-20)17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,22)
InChIKeyLTIXZYQCIGBAHI-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 47057294
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79039200
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 47057306
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
2-(4-nitrophenyl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288200
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
2-[(3-methylphenyl)methylsulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 95933084
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 55862736
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide (CID 75538689) is N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is LTIXZYQCIGBAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-19(15-24-18-9-5-2-6-10-18)21-16-20(11-13-23-14-12-20)17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,22).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide?
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 341.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 75538689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).