N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C22H28N2O3S — CID 7688667

IUPACN-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-22(2,3)19-12-5-6-13-20(19)23-21(25)17-10-9-11-18(16-17)28(26,27)24-14-7-4-8-15-24/h5-6,9-13,16H,4,7-8,14-15H2,1-3H3,(H,23,25)
InChIKeyXIQVLBXORHBFAK-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.41
Rot. Bonds4

About N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 7688667) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID7688667
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-22(2,3)19-12-5-6-13-20(19)23-21(25)17-10-9-11-18(16-17)28(26,27)24-14-7-4-8-15-24/h5-6,9-13,16H,4,7-8,14-15H2,1-3H3,(H,23,25)
InChIKeyXIQVLBXORHBFAK-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26181040
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 7688667) is N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide is CC(C)(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XIQVLBXORHBFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-22(2,3)19-12-5-6-13-20(19)23-21(25)17-10-9-11-18(16-17)28(26,27)24-14-7-4-8-15-24/h5-6,9-13,16H,4,7-8,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7688667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).