3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide

C21H26ClN3O4S — CID 24550044

IUPAC3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H26ClN3O4S/c1-21(2,3)24-19(26)14-25(4)20(27)16-10-11-17(22)18(12-16)30(28,29)23-13-15-8-6-5-7-9-15/h5-12,23H,13-14H2,1-4H3,(H,24,26)
InChIKeyVZTCTRTXHCIAME-UHFFFAOYSA-N
MW451.98 g/mol
LogP2.81
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide

3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide (PubChem CID 24550044) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
PubChem CID24550044
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H26ClN3O4S/c1-21(2,3)24-19(26)14-25(4)20(27)16-10-11-17(22)18(12-16)30(28,29)23-13-15-8-6-5-7-9-15/h5-12,23H,13-14H2,1-4H3,(H,24,26)
InChIKeyVZTCTRTXHCIAME-UHFFFAOYSA-N
XLogP2.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 38659885
3-(benzylsulfamoyl)-4-chloro-N-cyclohexyl-N-methylbenzamide
CID 25471701
3-(benzylsulfamoyl)-4-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24552174
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
(3,3-dimethyl-2-oxobutyl) 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599563
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
2-methylprop-2-enyl 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 18098555
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide (CID 24550044) is 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
The InChIKey is VZTCTRTXHCIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-21(2,3)24-19(26)14-25(4)20(27)16-10-11-17(22)18(12-16)30(28,29)23-13-15-8-6-5-7-9-15/h5-12,23H,13-14H2,1-4H3,(H,24,26).
What are the key properties of 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide has a molecular weight of 451.98 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 24550044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).