2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide

C23H22N2O2S2 — CID 134030541

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide
SMILESCc1ccc(Sc2ccc(NC(=O)c3ccccc3SCC(N)=O)cc2)cc1C
InChIInChI=1S/C23H22N2O2S2/c1-15-7-10-19(13-16(15)2)29-18-11-8-17(9-12-18)25-23(27)20-5-3-4-6-21(20)28-14-22(24)26/h3-13H,14H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyGGZPYNOZYDVKJQ-UHFFFAOYSA-N
MW422.58 g/mol
LogP5.28
Rot. Bonds7

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide (PubChem CID 134030541) has the molecular formula C23H22N2O2S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide
PubChem CID134030541
Molecular FormulaC23H22N2O2S2
Molecular Weight422.58 g/mol
Exact Mass422.11
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide
SMILESCc1ccc(Sc2ccc(NC(=O)c3ccccc3SCC(N)=O)cc2)cc1C
InChIInChI=1S/C23H22N2O2S2/c1-15-7-10-19(13-16(15)2)29-18-11-8-17(9-12-18)25-23(27)20-5-3-4-6-21(20)28-14-22(24)26/h3-13H,14H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyGGZPYNOZYDVKJQ-UHFFFAOYSA-N
XLogP5.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 17461144
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 37345198
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86932022
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
CID 9179609
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzamide
CID 30158230
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide
CID 26915377
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628688
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55919792
2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51248279
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 51289033

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide (CID 134030541) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide is Cc1ccc(Sc2ccc(NC(=O)c3ccccc3SCC(N)=O)cc2)cc1C.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide?
The InChIKey is GGZPYNOZYDVKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S2/c1-15-7-10-19(13-16(15)2)29-18-11-8-17(9-12-18)25-23(27)20-5-3-4-6-21(20)28-14-22(24)26/h3-13H,14H2,1-2H3,(H2,24,26)(H,25,27).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide has a molecular weight of 422.58 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide is sourced from PubChem (CID 134030541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).