N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide

C20H33N3O3S — CID 46038716

IUPACN-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide
SMILESCC(C)CCNC(=O)c1ccccc1N1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C20H33N3O3S/c1-15(2)9-12-21-20(24)18-7-5-6-8-19(18)23-13-10-17(11-14-23)22-27(25,26)16(3)4/h5-8,15-17,22H,9-14H2,1-4H3,(H,21,24)
InChIKeyZVTXFLZCZVIAPI-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.76
Rot. Bonds8

About N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide

N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide (PubChem CID 46038716) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide
PubChem CID46038716
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide
SMILESCC(C)CCNC(=O)c1ccccc1N1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C20H33N3O3S/c1-15(2)9-12-21-20(24)18-7-5-6-8-19(18)23-13-10-17(11-14-23)22-27(25,26)16(3)4/h5-8,15-17,22H,9-14H2,1-4H3,(H,21,24)
InChIKeyZVTXFLZCZVIAPI-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46037280
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 46038691
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660
N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848459
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide (CID 46038716) is N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide is CC(C)CCNC(=O)c1ccccc1N1CCC(NS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide?
The InChIKey is ZVTXFLZCZVIAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-15(2)9-12-21-20(24)18-7-5-6-8-19(18)23-13-10-17(11-14-23)22-27(25,26)16(3)4/h5-8,15-17,22H,9-14H2,1-4H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide?
N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide has a molecular weight of 395.57 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 46038716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).