N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide

C17H28N2O3S — CID 134006059

IUPACN-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O3S/c1-7-14(5)18(6)17(20)15-11-10-13(4)16(12-15)23(21,22)19(8-2)9-3/h10-12,14H,7-9H2,1-6H3
InChIKeyNWCMSQLFWCZUBA-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.90
Rot. Bonds7

About N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide

N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide (PubChem CID 134006059) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
PubChem CID134006059
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O3S/c1-7-14(5)18(6)17(20)15-11-10-13(4)16(12-15)23(21,22)19(8-2)9-3/h10-12,14H,7-9H2,1-6H3
InChIKeyNWCMSQLFWCZUBA-UHFFFAOYSA-N
XLogP2.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 26010193
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
CID 43273604
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The IUPAC name of N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide (CID 134006059) is N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The canonical SMILES for N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide is CCC(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The InChIKey is NWCMSQLFWCZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-7-14(5)18(6)17(20)15-11-10-13(4)16(12-15)23(21,22)19(8-2)9-3/h10-12,14H,7-9H2,1-6H3.
What are the key properties of N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide has a molecular weight of 340.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 134006059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).