N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide

C19H21NO3S2 — CID 40600054

IUPACN-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(C3SCCS3)cc2)cc1OC
InChIInChI=1S/C19H21NO3S2/c1-12-10-16(22-2)17(23-3)11-15(12)20-18(21)13-4-6-14(7-5-13)19-24-8-9-25-19/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyFVGNLMXEUUKUJT-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.74
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide

N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide (PubChem CID 40600054) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
PubChem CID40600054
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(C3SCCS3)cc2)cc1OC
InChIInChI=1S/C19H21NO3S2/c1-12-10-16(22-2)17(23-3)11-15(12)20-18(21)13-4-6-14(7-5-13)19-24-8-9-25-19/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyFVGNLMXEUUKUJT-UHFFFAOYSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8502374
N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 26894465
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 40599544
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 26704671
4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 86990667
4-(1,3-dithiolan-2-yl)-N-(2-methoxyethyl)benzamide
CID 18161968
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide (CID 40600054) is N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide is COc1cc(C)c(NC(=O)c2ccc(C3SCCS3)cc2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The InChIKey is FVGNLMXEUUKUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-12-10-16(22-2)17(23-3)11-15(12)20-18(21)13-4-6-14(7-5-13)19-24-8-9-25-19/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide has a molecular weight of 375.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide is sourced from PubChem (CID 40600054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).