N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide

C26H35N3O3S — CID 4101718

IUPACN-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCC3C)ccc2N2CCCCC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-19-10-13-22(14-11-19)33(31,32)28-24-18-21(12-15-25(24)29-16-6-3-7-17-29)26(30)27-23-9-5-4-8-20(23)2/h10-15,18,20,23,28H,3-9,16-17H2,1-2H3,(H,27,30)
InChIKeyCRFMQRXWDLSRRH-UHFFFAOYSA-N
MW469.65 g/mol
LogP5.09
Rot. Bonds6

About N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide

N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide (PubChem CID 4101718) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
PubChem CID4101718
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCC3C)ccc2N2CCCCC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-19-10-13-22(14-11-19)33(31,32)28-24-18-21(12-15-25(24)29-16-6-3-7-17-29)26(30)27-23-9-5-4-8-20(23)2/h10-15,18,20,23,28H,3-9,16-17H2,1-2H3,(H,27,30)
InChIKeyCRFMQRXWDLSRRH-UHFFFAOYSA-N
XLogP5.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.65
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
3-[(4-methylphenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292342
3-[(4-methylphenyl)sulfonylamino]-4-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50767022
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164433
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888
3-[(3,5-dimethylphenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 50766822
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide (CID 4101718) is N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCC3C)ccc2N2CCCCC2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is CRFMQRXWDLSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-19-10-13-22(14-11-19)33(31,32)28-24-18-21(12-15-25(24)29-16-6-3-7-17-29)26(30)27-23-9-5-4-8-20(23)2/h10-15,18,20,23,28H,3-9,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide?
N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 469.65 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 4101718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).