2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide

C18H22N4O2S2 — CID 17415532

IUPAC2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2SCC(N)=O)nc(C(C)C)n1
InChIInChI=1S/C18H22N4O2S2/c1-11(2)18-20-12(3)8-17(22-18)26-10-16(24)21-13-6-4-5-7-14(13)25-9-15(19)23/h4-8,11H,9-10H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeyYLSGVBYQIUMIHW-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.22
Rot. Bonds8

About 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide

2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide (PubChem CID 17415532) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
PubChem CID17415532
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2SCC(N)=O)nc(C(C)C)n1
InChIInChI=1S/C18H22N4O2S2/c1-11(2)18-20-12(3)8-17(22-18)26-10-16(24)21-13-6-4-5-7-14(13)25-9-15(19)23/h4-8,11H,9-10H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeyYLSGVBYQIUMIHW-UHFFFAOYSA-N
XLogP3.22
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40819742
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
CID 46700581
2-[2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 8601354
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411743
ethyl 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 23611290
2-[2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 46636930
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
CID 65225017
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9043953

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide (CID 17415532) is 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide is Cc1cc(SCC(=O)Nc2ccccc2SCC(N)=O)nc(C(C)C)n1.
What is the InChIKey of 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The InChIKey is YLSGVBYQIUMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-11(2)18-20-12(3)8-17(22-18)26-10-16(24)21-13-6-4-5-7-14(13)25-9-15(19)23/h4-8,11H,9-10H2,1-3H3,(H2,19,23)(H,21,24).
What are the key properties of 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide has a molecular weight of 390.53 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 17415532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).