N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide

C15H24N2O4S — CID 9109103

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)10-14(18)16-11-7-8-12(21-6)13(9-11)22(19,20)17(4)5/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyHMGWMCQVSPJBDS-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide (PubChem CID 9109103) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
PubChem CID9109103
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)10-14(18)16-11-7-8-12(21-6)13(9-11)22(19,20)17(4)5/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyHMGWMCQVSPJBDS-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
cis-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230598
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 9399939
4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55918830
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9106438
4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898309
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55535495
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide (CID 9109103) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide is COc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The InChIKey is HMGWMCQVSPJBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2,3)10-14(18)16-11-7-8-12(21-6)13(9-11)22(19,20)17(4)5/h7-9H,10H2,1-6H3,(H,16,18).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 9109103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).