3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide

C21H24N2O3S — CID 4304118

IUPAC3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NCC2CCCO2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-5-8-18(9-6-14)27-20-10-7-16(12-19(20)23-15(2)24)21(25)22-13-17-4-3-11-26-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMDUKCDYLFCRIGY-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.01
Rot. Bonds6

About 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide

3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4304118) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4304118
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NCC2CCCO2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-5-8-18(9-6-14)27-20-10-7-16(12-19(20)23-15(2)24)21(25)22-13-17-4-3-11-26-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMDUKCDYLFCRIGY-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 3444820
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylsulfanylbenzamide
CID 40623896
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4256449
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
3-[(4-methylbenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202627
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
4-methylsulfanyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 17395490

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide (CID 4304118) is 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide is CC(=O)Nc1cc(C(=O)NCC2CCCO2)ccc1Sc1ccc(C)cc1.
What is the InChIKey of 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MDUKCDYLFCRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-5-8-18(9-6-14)27-20-10-7-16(12-19(20)23-15(2)24)21(25)22-13-17-4-3-11-26-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 384.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4304118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).