1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide

C14H21N3O3S — CID 81171897

IUPAC1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H21N3O3S/c1-10-5-6-11(9-12(10)21(19,20)17(2)3)16-13(18)14(15)7-4-8-14/h5-6,9H,4,7-8,15H2,1-3H3,(H,16,18)
InChIKeyVXKULLMUHLCQDE-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.07
Rot. Bonds4

About 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide

1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide (PubChem CID 81171897) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
PubChem CID81171897
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H21N3O3S/c1-10-5-6-11(9-12(10)21(19,20)17(2)3)16-13(18)14(15)7-4-8-14/h5-6,9H,4,7-8,15H2,1-3H3,(H,16,18)
InChIKeyVXKULLMUHLCQDE-UHFFFAOYSA-N
XLogP1.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039851
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide (CID 81171897) is 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide?
The InChIKey is VXKULLMUHLCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-5-6-11(9-12(10)21(19,20)17(2)3)16-13(18)14(15)7-4-8-14/h5-6,9H,4,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide?
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81171897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).