3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane

C24H51N3O5S — CID 162172859

IUPAC3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane
SMILESC.CC(=O)CNC(=O)C(C(C)C)C(C)(C)C.CC(C)C(C(=O)NCCS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C12H23NO2.C11H24N2O3S.CH4/c1-8(2)10(12(4,5)6)11(15)13-7-9(3)14;1-8(2)9(11(3,4)5)10(14)13-6-7-17(12,15)16;/h8,10H,7H2,1-6H3,(H,13,15);8-9H,6-7H2,1-5H3,(H,13,14)(H2,12,15,16);1H4
InChIKeyZOAAMJDDZCFHGZ-UHFFFAOYSA-N
MW493.76 g/mol
LogP3.36
Rot. Bonds9

About 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane

3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane (PubChem CID 162172859) has the molecular formula C24H51N3O5S and a molecular weight of 493.76 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane
PubChem CID162172859
Molecular FormulaC24H51N3O5S
Molecular Weight493.76 g/mol
Exact Mass493.35
IUPAC Name3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane
SMILESC.CC(=O)CNC(=O)C(C(C)C)C(C)(C)C.CC(C)C(C(=O)NCCS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C12H23NO2.C11H24N2O3S.CH4/c1-8(2)10(12(4,5)6)11(15)13-7-9(3)14;1-8(2)9(11(3,4)5)10(14)13-6-7-17(12,15)16;/h8,10H,7H2,1-6H3,(H,13,15);8-9H,6-7H2,1-5H3,(H,13,14)(H2,12,15,16);1H4
InChIKeyZOAAMJDDZCFHGZ-UHFFFAOYSA-N
XLogP3.36
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.76
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 166908184
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
2-(2-oxopropylamino)ethanesulfonamide
CID 157109351
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
CID 103310839
methyl 2-(2-sulfamoylethylsulfamoyl)propanoate
CID 61459354
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
CID 57313950
N-methyl-2-(2-sulfamoylethylamino)propanamide
CID 114384925
2-(2-methoxyethylamino)-N-(2-sulfamoylethyl)acetamide
CID 79281474
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
CID 65266947

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane?
The IUPAC name of 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane (CID 162172859) is 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane.
What is the SMILES notation for 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane?
The canonical SMILES for 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane is C.CC(=O)CNC(=O)C(C(C)C)C(C)(C)C.CC(C)C(C(=O)NCCS(N)(=O)=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane?
The InChIKey is ZOAAMJDDZCFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C11H24N2O3S.CH4/c1-8(2)10(12(4,5)6)11(15)13-7-9(3)14;1-8(2)9(11(3,4)5)10(14)13-6-7-17(12,15)16;/h8,10H,7H2,1-6H3,(H,13,15);8-9H,6-7H2,1-5H3,(H,13,14)(H2,12,15,16);1H4.
What are the key properties of 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane?
3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane has a molecular weight of 493.76 g/mol, XLogP of 3.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane is sourced from PubChem (CID 162172859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).