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

C16H24N2O6S — CID 110165052

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H24N2O6S/c1-10-8-11(25(17,22)23)6-7-14(10)24-9-15(20)18(2)12-4-3-5-13(19)16(12)21/h6-8,12-13,16,19,21H,3-5,9H2,1-2H3,(H2,17,22,23)/t12-,13-,16-/m1/s1
InChIKeyNIYZNMZPBUDIRU-XJKCOSOUSA-N
MW372.44 g/mol
LogP-0.25
Rot. Bonds5

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

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide (PubChem CID 110165052) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide
PubChem CID110165052
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H24N2O6S/c1-10-8-11(25(17,22)23)6-7-14(10)24-9-15(20)18(2)12-4-3-5-13(19)16(12)21/h6-8,12-13,16,19,21H,3-5,9H2,1-2H3,(H2,17,22,23)/t12-,13-,16-/m1/s1
InChIKeyNIYZNMZPBUDIRU-XJKCOSOUSA-N
XLogP-0.25
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide (CID 110165052) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide is Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The InChIKey is NIYZNMZPBUDIRU-XJKCOSOUSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-10-8-11(25(17,22)23)6-7-14(10)24-9-15(20)18(2)12-4-3-5-13(19)16(12)21/h6-8,12-13,16,19,21H,3-5,9H2,1-2H3,(H2,17,22,23)/t12-,13-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide has a molecular weight of 372.44 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 110165052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).