4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C15H24N2O3S — CID 79558034

IUPAC4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCCNc1ccc(C(=O)NCC(C)(C)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H24N2O3S/c1-6-16-13-8-7-12(9-11(13)2)14(18)17-10-15(3,4)21(5,19)20/h7-9,16H,6,10H2,1-5H3,(H,17,18)
InChIKeyACFBUUXBBUNPLH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.98
Rot. Bonds6

About 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide

4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79558034) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79558034
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCCNc1ccc(C(=O)NCC(C)(C)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H24N2O3S/c1-6-16-13-8-7-12(9-11(13)2)14(18)17-10-15(3,4)21(5,19)20/h7-9,16H,6,10H2,1-5H3,(H,17,18)
InChIKeyACFBUUXBBUNPLH-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148
4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551946

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79558034) is 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CCNc1ccc(C(=O)NCC(C)(C)S(C)(=O)=O)cc1C.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is ACFBUUXBBUNPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-16-13-8-7-12(9-11(13)2)14(18)17-10-15(3,4)21(5,19)20/h7-9,16H,6,10H2,1-5H3,(H,17,18).
What are the key properties of 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 312.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79558034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).