N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

C18H28N2O3S — CID 47090100

IUPACN-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(C)C)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-13(2)15(4)19-18(21)16-8-10-20(11-9-16)24(22,23)17-7-5-6-14(3)12-17/h5-7,12-13,15-16H,8-11H2,1-4H3,(H,19,21)
InChIKeyLDYWXDVTWTUUKM-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.56
Rot. Bonds5

About N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 47090100) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID47090100
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(C)C)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-13(2)15(4)19-18(21)16-8-10-20(11-9-16)24(22,23)17-7-5-6-14(3)12-17/h5-7,12-13,15-16H,8-11H2,1-4H3,(H,19,21)
InChIKeyLDYWXDVTWTUUKM-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
methyl 1-(3-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47320003

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 47090100) is N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(C)C)CC2)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LDYWXDVTWTUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-13(2)15(4)19-18(21)16-8-10-20(11-9-16)24(22,23)17-7-5-6-14(3)12-17/h5-7,12-13,15-16H,8-11H2,1-4H3,(H,19,21).
What are the key properties of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47090100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).