N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

C16H26N2O5S — CID 30149679

IUPACN-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC
InChIInChI=1S/C16H26N2O5S/c1-6-8-9-17-16(19)12-10-14(22-4)15(23-5)11-13(12)18(3)24(20,21)7-2/h10-11H,6-9H2,1-5H3,(H,17,19)
InChIKeySSRGLPPCGCWOJB-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.02
Rot. Bonds9

About N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30149679) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
PubChem CID30149679
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC
InChIInChI=1S/C16H26N2O5S/c1-6-8-9-17-16(19)12-10-14(22-4)15(23-5)11-13(12)18(3)24(20,21)7-2/h10-11H,6-9H2,1-5H3,(H,17,19)
InChIKeySSRGLPPCGCWOJB-UHFFFAOYSA-N
XLogP2.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30150418
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide
CID 30149704
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
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
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150470
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
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
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (CID 30149679) is N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is CCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC.
What is the InChIKey of N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is SSRGLPPCGCWOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-6-8-9-17-16(19)12-10-14(22-4)15(23-5)11-13(12)18(3)24(20,21)7-2/h10-11H,6-9H2,1-5H3,(H,17,19).
What are the key properties of N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30149679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).