2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide

C19H19N5O4S2 — CID 135646878

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNc1cc(=O)[nH]c(SC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1
InChIInChI=1S/C19H19N5O4S2/c20-15-10-16(25)24-19(23-15)29-17(13-4-2-1-3-5-13)18(26)22-11-12-6-8-14(9-7-12)30(21,27)28/h1-10,17H,11H2,(H,22,26)(H2,21,27,28)(H3,20,23,24,25)
InChIKeySWVBJTWEPZNNOP-UHFFFAOYSA-N
MW445.53 g/mol
LogP1.15
Rot. Bonds7

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 135646878) has the molecular formula C19H19N5O4S2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID135646878
Molecular FormulaC19H19N5O4S2
Molecular Weight445.53 g/mol
Exact Mass445.09
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNc1cc(=O)[nH]c(SC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1
InChIInChI=1S/C19H19N5O4S2/c20-15-10-16(25)24-19(23-15)29-17(13-4-2-1-3-5-13)18(26)22-11-12-6-8-14(9-7-12)30(21,27)28/h1-10,17H,11H2,(H,22,26)(H2,21,27,28)(H3,20,23,24,25)
InChIKeySWVBJTWEPZNNOP-UHFFFAOYSA-N
XLogP1.15
TPSA161.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide with MolForge

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Related Compounds

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide
CID 135950983
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 136822574
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 132953917
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 135905937
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 135703427
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 136712452
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 135706250
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 132903387
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4878395
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)acetamide
CID 135625140

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 135646878) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide is Nc1cc(=O)[nH]c(SC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is SWVBJTWEPZNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S2/c20-15-10-16(25)24-19(23-15)29-17(13-4-2-1-3-5-13)18(26)22-11-12-6-8-14(9-7-12)30(21,27)28/h1-10,17H,11H2,(H,22,26)(H2,21,27,28)(H3,20,23,24,25).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 445.53 g/mol, XLogP of 1.15, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 135646878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).