2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide

C19H20ClN3O4S2 — CID 73453126

IUPAC2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSC1NCC(S(=O)(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C19H20ClN3O4S2/c1-12-14(20)8-5-9-15(12)22-17(24)11-28-19-21-10-16(18(25)23-19)29(26,27)13-6-3-2-4-7-13/h2-9,16,19,21H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeySLJACWMIVVAESD-UHFFFAOYSA-N
MW453.97 g/mol
LogP2.17
Rot. Bonds6

About 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide

2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 73453126) has the molecular formula C19H20ClN3O4S2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID73453126
Molecular FormulaC19H20ClN3O4S2
Molecular Weight453.97 g/mol
Exact Mass453.06
IUPAC Name2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSC1NCC(S(=O)(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C19H20ClN3O4S2/c1-12-14(20)8-5-9-15(12)22-17(24)11-28-19-21-10-16(18(25)23-19)29(26,27)13-6-3-2-4-7-13/h2-9,16,19,21H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeySLJACWMIVVAESD-UHFFFAOYSA-N
XLogP2.17
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide with MolForge

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Related Compounds

2-[[5-(4-bromophenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 73340569
N-(2-chloro-4-methylphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74532715
N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74531837
2-[[5-(4-butylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 75551124
2-[[5-(4-butylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 75551137
N-(3-chloro-2-methylphenyl)-2-[[(2S)-5-ethyl-4-hydroxy-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide
CID 1286147
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
N-(3-chloro-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 47115488
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 26589786
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
CID 112806311
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide (CID 73453126) is 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CSC1NCC(S(=O)(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is SLJACWMIVVAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S2/c1-12-14(20)8-5-9-15(12)22-17(24)11-28-19-21-10-16(18(25)23-19)29(26,27)13-6-3-2-4-7-13/h2-9,16,19,21H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 453.97 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 73453126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).