5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide

C18H29N3O4S — CID 146022773

IUPAC5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N(C)C)CCC(C)CC2)cc1C(N)=O
InChIInChI=1S/C18H29N3O4S/c1-13-7-9-18(10-8-13,21(2)3)12-20-26(23,24)14-5-6-16(25-4)15(11-14)17(19)22/h5-6,11,13,20H,7-10,12H2,1-4H3,(H2,19,22)
InChIKeyNZKKOIAZRNMSCB-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.58
Rot. Bonds7

About 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide

5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide (PubChem CID 146022773) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide
PubChem CID146022773
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N(C)C)CCC(C)CC2)cc1C(N)=O
InChIInChI=1S/C18H29N3O4S/c1-13-7-9-18(10-8-13,21(2)3)12-20-26(23,24)14-5-6-16(25-4)15(11-14)17(19)22/h5-6,11,13,20H,7-10,12H2,1-4H3,(H2,19,22)
InChIKeyNZKKOIAZRNMSCB-UHFFFAOYSA-N
XLogP1.58
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide
CID 146024591
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide (CID 146022773) is 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NCC2(N(C)C)CCC(C)CC2)cc1C(N)=O.
What is the InChIKey of 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide?
The InChIKey is NZKKOIAZRNMSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-13-7-9-18(10-8-13,21(2)3)12-20-26(23,24)14-5-6-16(25-4)15(11-14)17(19)22/h5-6,11,13,20H,7-10,12H2,1-4H3,(H2,19,22).
What are the key properties of 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide?
5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide has a molecular weight of 383.51 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146022773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).