2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide

C15H22N2O5S — CID 30149704

IUPAC2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC
InChIInChI=1S/C15H22N2O5S/c1-6-8-16-15(18)11-9-13(21-4)14(22-5)10-12(11)17(3)23(19,20)7-2/h6,9-10H,1,7-8H2,2-5H3,(H,16,18)
InChIKeyPMINOZCMVZHQCI-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.41
Rot. Bonds8

About 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide

2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide (PubChem CID 30149704) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide
PubChem CID30149704
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC
InChIInChI=1S/C15H22N2O5S/c1-6-8-16-15(18)11-9-13(21-4)14(22-5)10-12(11)17(3)23(19,20)7-2/h6,9-10H,1,7-8H2,2-5H3,(H,16,18)
InChIKeyPMINOZCMVZHQCI-UHFFFAOYSA-N
XLogP1.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149679
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30149815
N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150400
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30150418
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150470
N-(2,4-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149954
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150068
N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149936
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43889355
2,5-didodecoxy-1-N,4-N-bis(prop-2-enyl)benzene-1,4-dicarboxamide
CID 3780993
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide?
The IUPAC name of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide (CID 30149704) is 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC.
What is the InChIKey of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide?
The InChIKey is PMINOZCMVZHQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-6-8-16-15(18)11-9-13(21-4)14(22-5)10-12(11)17(3)23(19,20)7-2/h6,9-10H,1,7-8H2,2-5H3,(H,16,18).
What are the key properties of 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide?
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 30149704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).