5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide

C18H29N3O4S — CID 120889315

IUPAC5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-21-26(23,24)15-6-5-14(2)16(11-15)17(22)20-12-18(13-25-3)7-9-19-10-8-18/h5-6,11,19,21H,4,7-10,12-13H2,1-3H3,(H,20,22)
InChIKeyAGXILBHTEZAGQR-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.04
Rot. Bonds8

About 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide

5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide (PubChem CID 120889315) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
PubChem CID120889315
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-21-26(23,24)15-6-5-14(2)16(11-15)17(22)20-12-18(13-25-3)7-9-19-10-8-18/h5-6,11,19,21H,4,7-10,12-13H2,1-3H3,(H,20,22)
InChIKeyAGXILBHTEZAGQR-UHFFFAOYSA-N
XLogP1.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 120896043
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 120890345
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 120896353
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The IUPAC name of 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide (CID 120889315) is 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(COC)CCNCC2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The InChIKey is AGXILBHTEZAGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-21-26(23,24)15-6-5-14(2)16(11-15)17(22)20-12-18(13-25-3)7-9-19-10-8-18/h5-6,11,19,21H,4,7-10,12-13H2,1-3H3,(H,20,22).
What are the key properties of 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide?
5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide has a molecular weight of 383.51 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120889315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).