(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide

C16H26N2O5S — CID 20577858

IUPAC(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide
SMILESCC(O)(CCC(C[C@@H](O)CCc1ccccc1)S(N)(=O)=O)C(N)=O
InChIInChI=1S/C16H26N2O5S/c1-16(21,15(17)20)10-9-14(24(18,22)23)11-13(19)8-7-12-5-3-2-4-6-12/h2-6,13-14,19,21H,7-11H2,1H3,(H2,17,20)(H2,18,22,23)/t13-,14?,16?/m0/s1
InChIKeyXIJUEPKTQROXGA-HLIUYOAVSA-N
MW358.46 g/mol
LogP0.04
Rot. Bonds10

About (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide

(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide (PubChem CID 20577858) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide.

Molecular Properties

Compound Name(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide
PubChem CID20577858
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide
SMILESCC(O)(CCC(C[C@@H](O)CCc1ccccc1)S(N)(=O)=O)C(N)=O
InChIInChI=1S/C16H26N2O5S/c1-16(21,15(17)20)10-9-14(24(18,22)23)11-13(19)8-7-12-5-3-2-4-6-12/h2-6,13-14,19,21H,7-11H2,1H3,(H2,17,20)(H2,18,22,23)/t13-,14?,16?/m0/s1
InChIKeyXIJUEPKTQROXGA-HLIUYOAVSA-N
XLogP0.04
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 21345551
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
CID 173243874
(5R)-5-[(2S)-4-(3-fluorophenyl)-2-hydroxybutyl]-2-hydroxy-2-methylhexanediamide
CID 10315202
(5R)-N',2-dihydroxy-5-[(2S)-2-hydroxy-4-naphthalen-2-ylbutyl]-2-methylhexanediamide
CID 21345614
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
(5R)-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methyl-N'-(2-thiophen-2-ylethyl)hexanediamide
CID 21345602
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(5R)-N'-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 173120771
4-phenylbutan-2-yl sulfamate
CID 24761702
1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
CID 114827612
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide?
The IUPAC name of (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide (CID 20577858) is (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide.
What is the SMILES notation for (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide?
The canonical SMILES for (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide is CC(O)(CCC(C[C@@H](O)CCc1ccccc1)S(N)(=O)=O)C(N)=O.
What is the InChIKey of (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide?
The InChIKey is XIJUEPKTQROXGA-HLIUYOAVSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-16(21,15(17)20)10-9-14(24(18,22)23)11-13(19)8-7-12-5-3-2-4-6-12/h2-6,13-14,19,21H,7-11H2,1H3,(H2,17,20)(H2,18,22,23)/t13-,14?,16?/m0/s1.
What are the key properties of (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide?
(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide has a molecular weight of 358.46 g/mol, XLogP of 0.04, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide is sourced from PubChem (CID 20577858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).