2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide

C20H24N2O2S — CID 55778353

IUPAC2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)21-20(24)17-11-7-8-12-18(17)22-19(23)15(3)25-13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyXBKOSJUXUZYNSA-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.09
Rot. Bonds7

About 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide

2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide (PubChem CID 55778353) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
PubChem CID55778353
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)21-20(24)17-11-7-8-12-18(17)22-19(23)15(3)25-13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyXBKOSJUXUZYNSA-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2211958
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
CID 7276350
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
dimethyl 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzene-1,4-dicarboxylate
CID 40720432
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
N-(5-amino-2-methylphenyl)-2-benzylsulfanylpropanamide
CID 43187440
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide (CID 55778353) is 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)C(C)SCc1ccccc1.
What is the InChIKey of 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is XBKOSJUXUZYNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14(2)21-20(24)17-11-7-8-12-18(17)22-19(23)15(3)25-13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide?
2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 55778353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).