N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide

C24H25NOS — CID 3933523

IUPACN,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-19-13-15-23(16-14-19)27-20(2)24(26)25(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16,20H,17-18H2,1-2H3
InChIKeyOCNZROYDSGGXBD-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.70
Rot. Bonds7

About N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide

N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 3933523) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID3933523
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC NameN,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-19-13-15-23(16-14-19)27-20(2)24(26)25(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16,20H,17-18H2,1-2H3
InChIKeyOCNZROYDSGGXBD-UHFFFAOYSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
(2S)-N-benzyl-2-(4-methylphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135909926
N,N-dibenzyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16518713
methyl 2-[benzyl-[2-(4-chlorophenyl)sulfanylpropanoyl]amino]acetate
CID 55817074
N-benzyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42982138
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
CID 92682333
N-benzyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51140599
N-benzyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 43029363
N,N-dibenzyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 18134270
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
CID 111596437

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide (CID 3933523) is N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is OCNZROYDSGGXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-19-13-15-23(16-14-19)27-20(2)24(26)25(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16,20H,17-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide?
N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 375.54 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 3933523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).