[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

C18H26N2O6S — CID 26039851

IUPAC[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2(O)CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O6S/c1-13-7-8-14(11-15(13)27(24,25)20(2)3)19-16(21)12-26-17(22)18(23)9-5-4-6-10-18/h7-8,11,23H,4-6,9-10,12H2,1-3H3,(H,19,21)
InChIKeyRKSWGCDSMYJZDS-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.42
Rot. Bonds6

About [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 26039851) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID26039851
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2(O)CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O6S/c1-13-7-8-14(11-15(13)27(24,25)20(2)3)19-16(21)12-26-17(22)18(23)9-5-4-6-10-18/h7-8,11,23H,4-6,9-10,12H2,1-3H3,(H,19,21)
InChIKeyRKSWGCDSMYJZDS-UHFFFAOYSA-N
XLogP1.42
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 55569249
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] adamantane-1-carboxylate
CID 4307596
4-O-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506458
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 35590082
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 16542330
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 25300679
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
CID 81171897
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18149649
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (CID 26039851) is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is Cc1ccc(NC(=O)COC(=O)C2(O)CCCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is RKSWGCDSMYJZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-13-7-8-14(11-15(13)27(24,25)20(2)3)19-16(21)12-26-17(22)18(23)9-5-4-6-10-18/h7-8,11,23H,4-6,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 26039851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).