N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide

C20H28N2O9S — CID 92848488

IUPACN-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide
SMILESCC1(C)O[C@@H]2O[C@H](COCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1
InChIInChI=1S/C20H28N2O9S/c1-19(2)28-15-13(27-18-17(16(15)29-19)30-20(3,4)31-18)9-26-10-14(23)22-11-5-7-12(8-6-11)32(21,24)25/h5-8,13,15-18H,9-10H2,1-4H3,(H,22,23)(H2,21,24,25)/t13-,15+,16+,17+,18+/m1/s1
InChIKeyULNYTOXMXIRIJT-QSGXVVIFSA-N
MW472.52 g/mol
LogP0.69
Rot. Bonds6

About N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide

N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide (PubChem CID 92848488) has the molecular formula C20H28N2O9S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide
PubChem CID92848488
Molecular FormulaC20H28N2O9S
Molecular Weight472.52 g/mol
Exact Mass472.15
IUPAC NameN-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide
SMILESCC1(C)O[C@@H]2O[C@H](COCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1
InChIInChI=1S/C20H28N2O9S/c1-19(2)28-15-13(27-18-17(16(15)29-19)30-20(3,4)31-18)9-26-10-14(23)22-11-5-7-12(8-6-11)32(21,24)25/h5-8,13,15-18H,9-10H2,1-4H3,(H,22,23)(H2,21,24,25)/t13-,15+,16+,17+,18+/m1/s1
InChIKeyULNYTOXMXIRIJT-QSGXVVIFSA-N
XLogP0.69
TPSA144.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide with MolForge

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Related Compounds

(1R,2S,6S,8S,9R)-4,4,11,11-tetramethyl-N-(4-sulfamoylphenyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124746173
[(6S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 4-methylbenzenesulfonate
CID 169438641
N-[2-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]ethyl]benzamide
CID 18804201
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl trifluoromethanesulfonate
CID 12687187
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
methoxy-oxo-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]phosphanium
CID 177385254
[2-oxo-2-(4-sulfamoylanilino)ethyl] but-2-enoate
CID 3457190
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-N-[3-(4-methylanilino)-3-oxopropyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 25287817
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide (CID 92848488) is N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide is CC1(C)O[C@@H]2O[C@H](COCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide?
The InChIKey is ULNYTOXMXIRIJT-QSGXVVIFSA-N. The full InChI is InChI=1S/C20H28N2O9S/c1-19(2)28-15-13(27-18-17(16(15)29-19)30-20(3,4)31-18)9-26-10-14(23)22-11-5-7-12(8-6-11)32(21,24)25/h5-8,13,15-18H,9-10H2,1-4H3,(H,22,23)(H2,21,24,25)/t13-,15+,16+,17+,18+/m1/s1.
What are the key properties of N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide?
N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide has a molecular weight of 472.52 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-[[(1S,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]acetamide is sourced from PubChem (CID 92848488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).