N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide

C17H28N2O3S — CID 109061421

IUPACN-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N(C)CCCC)cc1
InChIInChI=1S/C17H28N2O3S/c1-5-7-13-18(3)17(20)15-9-11-16(12-10-15)23(21,22)19(4)14-8-6-2/h9-12H,5-8,13-14H2,1-4H3
InChIKeyKZWDDUDQVRDDML-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.98
Rot. Bonds9

About N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide

N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide (PubChem CID 109061421) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
PubChem CID109061421
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N(C)CCCC)cc1
InChIInChI=1S/C17H28N2O3S/c1-5-7-13-18(3)17(20)15-9-11-16(12-10-15)23(21,22)19(4)14-8-6-2/h9-12H,5-8,13-14H2,1-4H3
InChIKeyKZWDDUDQVRDDML-UHFFFAOYSA-N
XLogP2.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
CID 166922498
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109060391
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide (CID 109061421) is N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)N(C)CCCC)cc1.
What is the InChIKey of N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is KZWDDUDQVRDDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-7-13-18(3)17(20)15-9-11-16(12-10-15)23(21,22)19(4)14-8-6-2/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide?
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 340.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 109061421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).