N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide

C19H19NO3S — CID 6556149

IUPACN-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H19NO3S/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/h3-12,18H,13H2,1-2H3/t18-/m0/s1
InChIKeyLEZLVWLAXBFWNE-SFHVURJKSA-N
MW341.43 g/mol
LogP3.26
Rot. Bonds3

About N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide

N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide (PubChem CID 6556149) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
PubChem CID6556149
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H19NO3S/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/h3-12,18H,13H2,1-2H3/t18-/m0/s1
InChIKeyLEZLVWLAXBFWNE-SFHVURJKSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 43954753
N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide
CID 18888026
N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 5164890
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
CID 2981379
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 51400330
N-(4-bromophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 2228824
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 18880283
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)benzamide
CID 40642888
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]butanamide
CID 40505669
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-4-phenylbenzamide
CID 167768997
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7115982

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide (CID 6556149) is N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide is Cc1ccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
The InChIKey is LEZLVWLAXBFWNE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19NO3S/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/h3-12,18H,13H2,1-2H3/t18-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide has a molecular weight of 341.43 g/mol, XLogP of 3.26, 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-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide is sourced from PubChem (CID 6556149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).