2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C19H18N4O3S2 — CID 4168509

IUPAC2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H18N4O3S2/c1-13-11-17(14-5-3-2-4-6-14)23-19(21-13)27-12-18(24)22-15-7-9-16(10-8-15)28(20,25)26/h2-11H,12H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyVAIYUZOSOXRWAW-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 4168509) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID4168509
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H18N4O3S2/c1-13-11-17(14-5-3-2-4-6-14)23-19(21-13)27-12-18(24)22-15-7-9-16(10-8-15)28(20,25)26/h2-11H,12H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyVAIYUZOSOXRWAW-UHFFFAOYSA-N
XLogP2.83
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide 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

N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 126389565
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730126
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8731531
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
N-(9,10-dioxoanthracen-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4137000
2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 6500458
N-(3,4-dimethylphenyl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 1242723
N-(4-iodophenyl)-2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetamide
CID 21383152
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 8729800
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 4168509) is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VAIYUZOSOXRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-13-11-17(14-5-3-2-4-6-14)23-19(21-13)27-12-18(24)22-15-7-9-16(10-8-15)28(20,25)26/h2-11H,12H2,1H3,(H,22,24)(H2,20,25,26).
What are the key properties of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4168509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).