2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C20H22N2O3S — CID 2989154

IUPAC2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H22N2O3S/c1-26-18-11-5-3-9-16(18)20(24)22-17-10-4-2-8-15(17)19(23)21-13-14-7-6-12-25-14/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyDYIKARLWNPGYBD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.57
Rot. Bonds6

About 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2989154) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2989154
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H22N2O3S/c1-26-18-11-5-3-9-16(18)20(24)22-17-10-4-2-8-15(17)19(23)21-13-14-7-6-12-25-14/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyDYIKARLWNPGYBD-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-[[2-(2-methoxyethylsulfanyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41066122
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549
2-[[2-(difluoromethoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013865

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2989154) is 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is CSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DYIKARLWNPGYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-26-18-11-5-3-9-16(18)20(24)22-17-10-4-2-8-15(17)19(23)21-13-14-7-6-12-25-14/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2989154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).