3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide

C15H22N2O4S — CID 110642402

IUPAC3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CO)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O4S/c1-11-4-5-12(8-13(11)22(20,21)17(2)3)14(19)16-9-15(10-18)6-7-15/h4-5,8,18H,6-7,9-10H2,1-3H3,(H,16,19)
InChIKeyBCBYVHJJROJBLO-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.75
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide

3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide (PubChem CID 110642402) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
PubChem CID110642402
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CO)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O4S/c1-11-4-5-12(8-13(11)22(20,21)17(2)3)14(19)16-9-15(10-18)6-7-15/h4-5,8,18H,6-7,9-10H2,1-3H3,(H,16,19)
InChIKeyBCBYVHJJROJBLO-UHFFFAOYSA-N
XLogP0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 110288744
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide (CID 110642402) is 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(CO)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide?
The InChIKey is BCBYVHJJROJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-4-5-12(8-13(11)22(20,21)17(2)3)14(19)16-9-15(10-18)6-7-15/h4-5,8,18H,6-7,9-10H2,1-3H3,(H,16,19).
What are the key properties of 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide?
3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 110642402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).