4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

C22H34ClN3O4S — CID 55950765

IUPAC4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1
InChIInChI=1S/C22H34ClN3O4S/c1-5-16(6-2)22(28)25-13-11-18(12-14-25)24-21(27)17-9-10-19(23)20(15-17)31(29,30)26(7-3)8-4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,24,27)
InChIKeyRRCHCUDKVYLHTQ-UHFFFAOYSA-N
MW472.05 g/mol
LogP3.53
Rot. Bonds9

About 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 55950765) has the molecular formula C22H34ClN3O4S and a molecular weight of 472.05 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
PubChem CID55950765
Molecular FormulaC22H34ClN3O4S
Molecular Weight472.05 g/mol
Exact Mass471.20
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1
InChIInChI=1S/C22H34ClN3O4S/c1-5-16(6-2)22(28)25-13-11-18(12-14-25)24-21(27)17-9-10-19(23)20(15-17)31(29,30)26(7-3)8-4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,24,27)
InChIKeyRRCHCUDKVYLHTQ-UHFFFAOYSA-N
XLogP3.53
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.05
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542801
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 55805492
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
CID 55949490
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
2-tert-butyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108551790
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N,N-diethylbenzenesulfonamide
CID 9295967
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950772
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (CID 55950765) is 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is RRCHCUDKVYLHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O4S/c1-5-16(6-2)22(28)25-13-11-18(12-14-25)24-21(27)17-9-10-19(23)20(15-17)31(29,30)26(7-3)8-4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,24,27).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 472.05 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 55950765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).