5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide

C23H30N2O5S — CID 133166349

IUPAC5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NC2CC(CC)(CC)Oc3ccccc32)ccc1OC
InChIInChI=1S/C23H30N2O5S/c1-5-23(6-2)15-19(17-10-8-9-11-21(17)30-23)25-31(27,28)16-12-13-20(29-4)18(14-16)22(26)24-7-3/h8-14,19,25H,5-7,15H2,1-4H3,(H,24,26)
InChIKeyWRLJHTIBEBCHJM-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.81
Rot. Bonds8

About 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide

5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide (PubChem CID 133166349) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide
PubChem CID133166349
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NC2CC(CC)(CC)Oc3ccccc32)ccc1OC
InChIInChI=1S/C23H30N2O5S/c1-5-23(6-2)15-19(17-10-8-9-11-21(17)30-23)25-31(27,28)16-12-13-20(29-4)18(14-16)22(26)24-7-3/h8-14,19,25H,5-7,15H2,1-4H3,(H,24,26)
InChIKeyWRLJHTIBEBCHJM-UHFFFAOYSA-N
XLogP3.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-5-fluoro-2-methoxybenzenesulfonamide
CID 133224858
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 133189812
N-[5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 133187537
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 100770415
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 100516176
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100727751
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 100617631
(2S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 125059757
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 133189767
5-(ethylsulfamoyl)-2-methoxy-N-(2-phenylethyl)benzamide
CID 19257913
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide?
The IUPAC name of 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide (CID 133166349) is 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide?
The canonical SMILES for 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide is CCNC(=O)c1cc(S(=O)(=O)NC2CC(CC)(CC)Oc3ccccc32)ccc1OC.
What is the InChIKey of 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide?
The InChIKey is WRLJHTIBEBCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-5-23(6-2)15-19(17-10-8-9-11-21(17)30-23)25-31(27,28)16-12-13-20(29-4)18(14-16)22(26)24-7-3/h8-14,19,25H,5-7,15H2,1-4H3,(H,24,26).
What are the key properties of 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide?
5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide has a molecular weight of 446.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 133166349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).