2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

C20H24N2O2S2 — CID 31362954

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C)cc1
InChIInChI=1S/C20H24N2O2S2/c1-21(2)19(23)14-26-18-8-6-5-7-17(18)20(24)22(3)13-15-9-11-16(25-4)12-10-15/h5-12H,13-14H2,1-4H3
InChIKeyOBBRPIVYMWZNEJ-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.86
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 31362954) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID31362954
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C)cc1
InChIInChI=1S/C20H24N2O2S2/c1-21(2)19(23)14-26-18-8-6-5-7-17(18)20(24)22(3)13-15-9-11-16(25-4)12-10-15/h5-12H,13-14H2,1-4H3
InChIKeyOBBRPIVYMWZNEJ-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
4-[[methyl-(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid
CID 167984259
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-[(4-cyanophenyl)methyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylbenzamide
CID 55593957
2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 38710126
2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 9206617
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55332495
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 31362954) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is OBBRPIVYMWZNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-21(2)19(23)14-26-18-8-6-5-7-17(18)20(24)22(3)13-15-9-11-16(25-4)12-10-15/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 388.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 31362954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).