N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide

C16H26N2O4S — CID 110415867

IUPACN-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
SMILESCCCCN(C)C(=O)C(C)CS(=O)(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H26N2O4S/c1-5-6-10-18(3)16(19)13(2)12-23(20,21)17-14-8-7-9-15(11-14)22-4/h7-9,11,13,17H,5-6,10,12H2,1-4H3
InChIKeyDYZWZXRBOFOZAK-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.33
Rot. Bonds9

About N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide

N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide (PubChem CID 110415867) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
PubChem CID110415867
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
SMILESCCCCN(C)C(=O)C(C)CS(=O)(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H26N2O4S/c1-5-6-10-18(3)16(19)13(2)12-23(20,21)17-14-8-7-9-15(11-14)22-4/h7-9,11,13,17H,5-6,10,12H2,1-4H3
InChIKeyDYZWZXRBOFOZAK-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110409522
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
N-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110426759
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411072
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411787
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
The IUPAC name of N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide (CID 110415867) is N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide is CCCCN(C)C(=O)C(C)CS(=O)(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
The InChIKey is DYZWZXRBOFOZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-6-10-18(3)16(19)13(2)12-23(20,21)17-14-8-7-9-15(11-14)22-4/h7-9,11,13,17H,5-6,10,12H2,1-4H3.
What are the key properties of N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide has a molecular weight of 342.46 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 110415867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).