N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide

C20H33N3O3S — CID 119798926

IUPACN-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide
SMILESCc1c(NC(=O)CC(C)C2CCCNC2)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H33N3O3S/c1-14(16-8-7-11-21-13-16)12-19(24)22-17-9-6-10-18(15(17)2)27(25,26)23-20(3,4)5/h6,9-10,14,16,21,23H,7-8,11-13H2,1-5H3,(H,22,24)
InChIKeyRZACZCGFVGKSGF-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.04
Rot. Bonds6

About N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide

N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119798926) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide
PubChem CID119798926
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide
SMILESCc1c(NC(=O)CC(C)C2CCCNC2)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H33N3O3S/c1-14(16-8-7-11-21-13-16)12-19(24)22-17-9-6-10-18(15(17)2)27(25,26)23-20(3,4)5/h6,9-10,14,16,21,23H,7-8,11-13H2,1-5H3,(H,22,24)
InChIKeyRZACZCGFVGKSGF-UHFFFAOYSA-N
XLogP3.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119750611
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide (CID 119798926) is N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide is Cc1c(NC(=O)CC(C)C2CCCNC2)cccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is RZACZCGFVGKSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-14(16-8-7-11-21-13-16)12-19(24)22-17-9-6-10-18(15(17)2)27(25,26)23-20(3,4)5/h6,9-10,14,16,21,23H,7-8,11-13H2,1-5H3,(H,22,24).
What are the key properties of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide?
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 395.57 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119798926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).