N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide

C15H24N2O3S — CID 79558263

IUPACN-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11(2)17-13-9-7-6-8-12(13)14(18)16-10-15(3,4)21(5,19)20/h6-9,11,17H,10H2,1-5H3,(H,16,18)
InChIKeyLSILMOSHBJMNRP-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.06
Rot. Bonds6

About N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide

N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide (PubChem CID 79558263) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
PubChem CID79558263
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11(2)17-13-9-7-6-8-12(13)14(18)16-10-15(3,4)21(5,19)20/h6-9,11,17H,10H2,1-5H3,(H,16,18)
InChIKeyLSILMOSHBJMNRP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
CID 106257692
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide (CID 79558263) is N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is LSILMOSHBJMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)17-13-9-7-6-8-12(13)14(18)16-10-15(3,4)21(5,19)20/h6-9,11,17H,10H2,1-5H3,(H,16,18).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide?
N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 312.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 79558263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).