N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

C19H17ClN4O4S2 — CID 135460620

IUPACN-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O4S2/c1-12-6-8-13(9-7-12)30(27,28)24-16-10-17(25)23-19(22-16)29-11-18(26)21-15-5-3-2-4-14(15)20/h2-10H,11H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyKCWPXZVVZGTMDR-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.26
Rot. Bonds7

About N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135460620) has the molecular formula C19H17ClN4O4S2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135460620
Molecular FormulaC19H17ClN4O4S2
Molecular Weight464.96 g/mol
Exact Mass464.04
IUPAC NameN-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O4S2/c1-12-6-8-13(9-7-12)30(27,28)24-16-10-17(25)23-19(22-16)29-11-18(26)21-15-5-3-2-4-14(15)20/h2-10H,11H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyKCWPXZVVZGTMDR-UHFFFAOYSA-N
XLogP3.26
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135485207
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
N-[2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]-4-methylbenzenesulfonamide
CID 135408902
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide
CID 135964006
N-(2-chlorophenyl)-2-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 1411923
N-(2-chlorophenyl)-2-[[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135686541
N-(2-chloro-5-methylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135836480
N-[2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]benzenesulfonamide
CID 135463290
N-(2-chlorophenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135693229
2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135418814
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 135460620) is N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is Cc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is KCWPXZVVZGTMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S2/c1-12-6-8-13(9-7-12)30(27,28)24-16-10-17(25)23-19(22-16)29-11-18(26)21-15-5-3-2-4-14(15)20/h2-10H,11H2,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 464.96 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135460620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).