N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide

C18H19NO4S — CID 750100

IUPACN-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(OC3CSC3)cc2)c1
InChIInChI=1S/C18H19NO4S/c1-21-14-7-8-17(22-2)16(9-14)19-18(20)12-3-5-13(6-4-12)23-15-10-24-11-15/h3-9,15H,10-11H2,1-2H3,(H,19,20)
InChIKeyKAYAWPLABMFDMK-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.45
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide

N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide (PubChem CID 750100) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide
PubChem CID750100
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(OC3CSC3)cc2)c1
InChIInChI=1S/C18H19NO4S/c1-21-14-7-8-17(22-2)16(9-14)19-18(20)12-3-5-13(6-4-12)23-15-10-24-11-15/h3-9,15H,10-11H2,1-2H3,(H,19,20)
InChIKeyKAYAWPLABMFDMK-UHFFFAOYSA-N
XLogP3.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
Fast Blue RR
CID 93116
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
CID 23653531
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide
CID 532276
N-(2,5-dimethoxyphenyl)-4-methylbenzamide
CID 531831
2',5'-Diethoxybenzanilide
CID 66700
2',4-Dimethoxybenzanilide
CID 346050
n-(3-Acetylphenyl)-4-(thietan-3-yloxy)benzamide
CID 756122
N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1257518
N-(3-methylphenyl)-4-(3-thietanyloxy)benzamide
CID 759804
N-(2,5-dimethoxyphenyl)-4-ethoxybenzamide
CID 854771

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide (CID 750100) is N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide is COc1ccc(OC)c(NC(=O)c2ccc(OC3CSC3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide?
The InChIKey is KAYAWPLABMFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-21-14-7-8-17(22-2)16(9-14)19-18(20)12-3-5-13(6-4-12)23-15-10-24-11-15/h3-9,15H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide?
N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide has a molecular weight of 345.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide is sourced from PubChem (CID 750100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).