N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide

C14H22N2O4S — CID 65376123

IUPACN,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OC(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-5-16(6-2)14(17)11-7-8-12(20-10(3)4)13(9-11)21(15,18)19/h7-10H,5-6H2,1-4H3,(H2,15,18,19)
InChIKeyCPOIHXDDFWDSEL-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.60
Rot. Bonds6

About N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide

N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide (PubChem CID 65376123) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
PubChem CID65376123
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OC(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-5-16(6-2)14(17)11-7-8-12(20-10(3)4)13(9-11)21(15,18)19/h7-10H,5-6H2,1-4H3,(H2,15,18,19)
InChIKeyCPOIHXDDFWDSEL-UHFFFAOYSA-N
XLogP1.60
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65374064
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 79472536
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65369018
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
methyl 3-fluorosulfonyl-4-propan-2-yloxybenzoate
CID 165461434
3-chlorosulfonyl-4-propan-2-yloxybenzoic acid
CID 43145265
N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
CID 65373100
2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372640
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
The IUPAC name of N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide (CID 65376123) is N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide.
What is the SMILES notation for N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
The canonical SMILES for N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide is CCN(CC)C(=O)c1ccc(OC(C)C)c(S(N)(=O)=O)c1.
What is the InChIKey of N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
The InChIKey is CPOIHXDDFWDSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-16(6-2)14(17)11-7-8-12(20-10(3)4)13(9-11)21(15,18)19/h7-10H,5-6H2,1-4H3,(H2,15,18,19).
What are the key properties of N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide is sourced from PubChem (CID 65376123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).