N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide

C15H22N2O6S — CID 110164108

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H22N2O6S/c1-9-7-10(24(16,21)22)5-6-13(9)23-8-14(19)17-11-3-2-4-12(18)15(11)20/h5-7,11-12,15,18,20H,2-4,8H2,1H3,(H,17,19)(H2,16,21,22)/t11-,12-,15-/m1/s1
InChIKeyIVABCVONVYRVCN-LALPHHSUSA-N
MW358.42 g/mol
LogP-0.59
Rot. Bonds5

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide (PubChem CID 110164108) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide
PubChem CID110164108
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H22N2O6S/c1-9-7-10(24(16,21)22)5-6-13(9)23-8-14(19)17-11-3-2-4-12(18)15(11)20/h5-7,11-12,15,18,20H,2-4,8H2,1H3,(H,17,19)(H2,16,21,22)/t11-,12-,15-/m1/s1
InChIKeyIVABCVONVYRVCN-LALPHHSUSA-N
XLogP-0.59
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 110165052
2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
CID 82921954
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
CID 126394650

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide (CID 110164108) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide is Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The InChIKey is IVABCVONVYRVCN-LALPHHSUSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-9-7-10(24(16,21)22)5-6-13(9)23-8-14(19)17-11-3-2-4-12(18)15(11)20/h5-7,11-12,15,18,20H,2-4,8H2,1H3,(H,17,19)(H2,16,21,22)/t11-,12-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide has a molecular weight of 358.42 g/mol, XLogP of -0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 110164108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).