1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide

C17H22N2O4S — CID 109138291

IUPAC1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CC1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S/c1-11-5-3-4-6-15(11)18-16(20)13-9-14(13)17(21)19(2)12-7-8-24(22,23)10-12/h3-6,12-14H,7-10H2,1-2H3,(H,18,20)
InChIKeyBNXCOEWTDHXUTM-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.22
Rot. Bonds4

About 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138291) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138291
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CC1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S/c1-11-5-3-4-6-15(11)18-16(20)13-9-14(13)17(21)19(2)12-7-8-24(22,23)10-12/h3-6,12-14H,7-10H2,1-2H3,(H,18,20)
InChIKeyBNXCOEWTDHXUTM-UHFFFAOYSA-N
XLogP1.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109138846
2-N-benzyl-1-N-(1,1-dioxothiolan-3-yl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134992
2-N-(2,4-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109138841
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
1-(dimethylamino)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-methylphenyl)thiourea
CID 8600062
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-2-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088395
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138836
1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(2-methylphenyl)thiourea
CID 8681117
2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138353
1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
CID 108894182
2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109138291) is 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide is Cc1ccccc1NC(=O)C1CC1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is BNXCOEWTDHXUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11-5-3-4-6-15(11)18-16(20)13-9-14(13)17(21)19(2)12-7-8-24(22,23)10-12/h3-6,12-14H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).