N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide

C27H41N5O3S — CID 91430646

IUPACN-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2Nc2cc(N(C)C)cc(C)n2)cc1
InChIInChI=1S/C27H41N5O3S/c1-6-16-32(17-7-2)36(34,35)23-14-12-21(13-15-23)27(33)30-25-11-9-8-10-24(25)29-26-19-22(31(4)5)18-20(3)28-26/h12-15,18-19,24-25H,6-11,16-17H2,1-5H3,(H,28,29)(H,30,33)
InChIKeyWZTYJOMSJBOMLH-UHFFFAOYSA-N
MW515.72 g/mol
LogP4.42
Rot. Bonds11

About N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide

N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 91430646) has the molecular formula C27H41N5O3S and a molecular weight of 515.72 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide
PubChem CID91430646
Molecular FormulaC27H41N5O3S
Molecular Weight515.72 g/mol
Exact Mass515.29
IUPAC NameN-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2Nc2cc(N(C)C)cc(C)n2)cc1
InChIInChI=1S/C27H41N5O3S/c1-6-16-32(17-7-2)36(34,35)23-14-12-21(13-15-23)27(33)30-25-11-9-8-10-24(25)29-26-19-22(31(4)5)18-20(3)28-26/h12-15,18-19,24-25H,6-11,16-17H2,1-5H3,(H,28,29)(H,30,33)
InChIKeyWZTYJOMSJBOMLH-UHFFFAOYSA-N
XLogP4.42
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.72
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide with MolForge

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Related Compounds

N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
CID 119603064
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
acridine;4-(dipropylsulfamoyl)benzoic acid
CID 139187519
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide (CID 91430646) is N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2Nc2cc(N(C)C)cc(C)n2)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is WZTYJOMSJBOMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O3S/c1-6-16-32(17-7-2)36(34,35)23-14-12-21(13-15-23)27(33)30-25-11-9-8-10-24(25)29-26-19-22(31(4)5)18-20(3)28-26/h12-15,18-19,24-25H,6-11,16-17H2,1-5H3,(H,28,29)(H,30,33).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide?
N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 515.72 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 91430646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).