3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide

C22H29N3O5S — CID 96529266

IUPAC3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C22H29N3O5S/c1-3-25(4-2)31(29,30)20-12-8-11-18(13-20)22(28)24-15-21(27)23-14-19(16-26)17-9-6-5-7-10-17/h5-13,19,26H,3-4,14-16H2,1-2H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyXHNDVXZZHZHBER-LJQANCHMSA-N
MW447.56 g/mol
LogP1.34
Rot. Bonds11

About 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide

3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide (PubChem CID 96529266) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
PubChem CID96529266
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C22H29N3O5S/c1-3-25(4-2)31(29,30)20-12-8-11-18(13-20)22(28)24-15-21(27)23-14-19(16-26)17-9-6-5-7-10-17/h5-13,19,26H,3-4,14-16H2,1-2H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyXHNDVXZZHZHBER-LJQANCHMSA-N
XLogP1.34
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120827304
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119521498
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
CID 120704917
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide (CID 96529266) is 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H](CO)c2ccccc2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide?
The InChIKey is XHNDVXZZHZHBER-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-3-25(4-2)31(29,30)20-12-8-11-18(13-20)22(28)24-15-21(27)23-14-19(16-26)17-9-6-5-7-10-17/h5-13,19,26H,3-4,14-16H2,1-2H3,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide?
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 1.34, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 96529266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).