N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide

C16H26N2O5S — CID 23353687

IUPACN,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(OC)c(OC)c1C(C)C
InChIInChI=1S/C16H26N2O5S/c1-7-18(8-2)16(19)11-9-12(24(17,20)21)14(22-5)15(23-6)13(11)10(3)4/h9-10H,7-8H2,1-6H3,(H2,17,20,21)
InChIKeyFLPLQAQTSXGGPN-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.96
Rot. Bonds7

About N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide

N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide (PubChem CID 23353687) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide
PubChem CID23353687
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(OC)c(OC)c1C(C)C
InChIInChI=1S/C16H26N2O5S/c1-7-18(8-2)16(19)11-9-12(24(17,20)21)14(22-5)15(23-6)13(11)10(3)4/h9-10H,7-8H2,1-6H3,(H2,17,20,21)
InChIKeyFLPLQAQTSXGGPN-UHFFFAOYSA-N
XLogP1.96
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787
4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388148
N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
CID 65368924
N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65376123
N-ethyl-2,4-dimethoxy-N-methyl-5-sulfamoylbenzamide
CID 65375421
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
pentan-2-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
CID 102988512
N-ethyl-2,3-dimethyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65387190
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide (CID 23353687) is N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide is CCN(CC)C(=O)c1cc(S(N)(=O)=O)c(OC)c(OC)c1C(C)C.
What is the InChIKey of N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide?
The InChIKey is FLPLQAQTSXGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-7-18(8-2)16(19)11-9-12(24(17,20)21)14(22-5)15(23-6)13(11)10(3)4/h9-10H,7-8H2,1-6H3,(H2,17,20,21).
What are the key properties of N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide?
N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 23353687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).