N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide

C21H25N3O3S — CID 119578115

IUPACN-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCNC(C)C2)c1
InChIInChI=1S/C21H25N3O3S/c1-15-13-24(11-10-22-15)21(26)18-8-3-4-9-19(18)28-14-20(25)23-16-6-5-7-17(12-16)27-2/h3-9,12,15,22H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyABRZMGQTABPKIG-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.86
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide

N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide (PubChem CID 119578115) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
PubChem CID119578115
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCNC(C)C2)c1
InChIInChI=1S/C21H25N3O3S/c1-15-13-24(11-10-22-15)21(26)18-8-3-4-9-19(18)28-14-20(25)23-16-6-5-7-17(12-16)27-2/h3-9,12,15,22H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyABRZMGQTABPKIG-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 17488278
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451413
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42977856
(1-amino-1-oxopropan-2-yl) 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42898886
N-(2-chloro-4-fluorophenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 29175162
N-[1-(1-adamantyl)ethyl]-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 112789572
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42104493
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26915197

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide (CID 119578115) is N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide is COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCNC(C)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
The InChIKey is ABRZMGQTABPKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-13-24(11-10-22-15)21(26)18-8-3-4-9-19(18)28-14-20(25)23-16-6-5-7-17(12-16)27-2/h3-9,12,15,22H,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide has a molecular weight of 399.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 119578115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).