N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide

C16H20N2O4S — CID 38834502

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H20N2O4S/c1-10-8-14(10)16(20)17-12-4-2-11(3-5-12)15(19)18-13-6-7-23(21,22)9-13/h2-5,10,13-14H,6-9H2,1H3,(H,17,20)(H,18,19)/t10-,13-,14+/m1/s1
InChIKeyOVDQTPBLPXMDDX-HONMWMINSA-N
MW336.41 g/mol
LogP1.20
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 38834502) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID38834502
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H20N2O4S/c1-10-8-14(10)16(20)17-12-4-2-11(3-5-12)15(19)18-13-6-7-23(21,22)9-13/h2-5,10,13-14H,6-9H2,1H3,(H,17,20)(H,18,19)/t10-,13-,14+/m1/s1
InChIKeyOVDQTPBLPXMDDX-HONMWMINSA-N
XLogP1.20
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide 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

4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 124887231
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
CID 7164305
4-N-(2,5-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)benzene-1,4-dicarboxamide
CID 109048143

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 38834502) is N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide is C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is OVDQTPBLPXMDDX-HONMWMINSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-8-14(10)16(20)17-12-4-2-11(3-5-12)15(19)18-13-6-7-23(21,22)9-13/h2-5,10,13-14H,6-9H2,1H3,(H,17,20)(H,18,19)/t10-,13-,14+/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 336.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 38834502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).