N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide

C14H20N2O4S — CID 8849768

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-16(2)21(18,19)13-9-11(7-8-12(13)20-3)15-14(17)10-5-4-6-10/h7-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyFFWNKXMWQCGWHN-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.68
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide (PubChem CID 8849768) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
PubChem CID8849768
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-16(2)21(18,19)13-9-11(7-8-12(13)20-3)15-14(17)10-5-4-6-10/h7-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyFFWNKXMWQCGWHN-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 25494837
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947000
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561
5-(cyclobutanecarbonylamino)-2-methoxy-N,N-dimethylbenzamide
CID 131935340
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclohex-3-ene-1-carboxamide
CID 51212890
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 25439136
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide (CID 8849768) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide is COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide?
The InChIKey is FFWNKXMWQCGWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(2)21(18,19)13-9-11(7-8-12(13)20-3)15-14(17)10-5-4-6-10/h7-10H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.68, 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]cyclobutanecarboxamide is sourced from PubChem (CID 8849768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).