N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C19H21NO3S — CID 7115982

IUPACN-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H21NO3S/c1-14-8-9-17(12-15(14)2)20(18-10-11-24(22,23)13-18)19(21)16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3/t18-/m1/s1
InChIKeyKCZKXSJQKQHBFL-GOSISDBHSA-N
MW343.45 g/mol
LogP3.14
Rot. Bonds3

About N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7115982) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7115982
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H21NO3S/c1-14-8-9-17(12-15(14)2)20(18-10-11-24(22,23)13-18)19(21)16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3/t18-/m1/s1
InChIKeyKCZKXSJQKQHBFL-GOSISDBHSA-N
XLogP3.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 102566702
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7116277
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 6556149
N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 5084050
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)benzamide
CID 21179672
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide
CID 102566727
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 7388981
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 25355616
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 7115982) is N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is Cc1ccc(N(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is KCZKXSJQKQHBFL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-14-8-9-17(12-15(14)2)20(18-10-11-24(22,23)13-18)19(21)16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7115982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).