N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide

C20H32N2O3S — CID 131906798

IUPACN-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1
InChIInChI=1S/C20H32N2O3S/c1-14-10-18(20(4,5)6)11-19(15(14)2)26(24,25)22-9-7-8-17(13-22)12-21-16(3)23/h10-11,17H,7-9,12-13H2,1-6H3,(H,21,23)
InChIKeyGPRBVFLTYFWFSQ-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.14
Rot. Bonds4

About N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide

N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide (PubChem CID 131906798) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide
PubChem CID131906798
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1
InChIInChI=1S/C20H32N2O3S/c1-14-10-18(20(4,5)6)11-19(15(14)2)26(24,25)22-9-7-8-17(13-22)12-21-16(3)23/h10-11,17H,7-9,12-13H2,1-6H3,(H,21,23)
InChIKeyGPRBVFLTYFWFSQ-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901350
2-[[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727081
4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 50847857
1-[1-(4-bromo-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119960918
1-[1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 81320268
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 79998589
2-[[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120727080
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
tert-butyl N-[[(3R)-1-[4-(bromomethyl)phenyl]sulfonylpiperidin-3-yl]methyl]carbamate
CID 97174430
2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726940
1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961088
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide (CID 131906798) is N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1.
What is the InChIKey of N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide?
The InChIKey is GPRBVFLTYFWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-14-10-18(20(4,5)6)11-19(15(14)2)26(24,25)22-9-7-8-17(13-22)12-21-16(3)23/h10-11,17H,7-9,12-13H2,1-6H3,(H,21,23).
What are the key properties of N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide?
N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide has a molecular weight of 380.55 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 131906798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).