N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide

C21H29N3O3S — CID 59231588

IUPACN-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccc(-c3cccc(OC)c3)cn2)CC1
InChIInChI=1S/C21H29N3O3S/c1-3-28(25,26)23-14-16-7-10-19(11-8-16)24-21-12-9-18(15-22-21)17-5-4-6-20(13-17)27-2/h4-6,9,12-13,15-16,19,23H,3,7-8,10-11,14H2,1-2H3,(H,22,24)
InChIKeyUQHWMRMSVRCCLS-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.67
Rot. Bonds8

About N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide

N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 59231588) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
PubChem CID59231588
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccc(-c3cccc(OC)c3)cn2)CC1
InChIInChI=1S/C21H29N3O3S/c1-3-28(25,26)23-14-16-7-10-19(11-8-16)24-21-12-9-18(15-22-21)17-5-4-6-20(13-17)27-2/h4-6,9,12-13,15-16,19,23H,3,7-8,10-11,14H2,1-2H3,(H,22,24)
InChIKeyUQHWMRMSVRCCLS-UHFFFAOYSA-N
XLogP3.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide with MolForge

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Related Compounds

N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide
CID 59231359
N-[[4-[[6-(3-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 59230507
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
N-[[4-[(6-pyrrol-1-ylpyridazin-3-yl)amino]cyclohexyl]methyl]ethanesulfonamide
CID 59231143
N-[[4-[[6-(2-chlorophenyl)pyridazin-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 59230622
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70793963
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 165119935
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
3,3-bis(cyclopropylmethyl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-one;ethane;molecular hydrogen
CID 144637020

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide (CID 59231588) is N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(Nc2ccc(-c3cccc(OC)c3)cn2)CC1.
What is the InChIKey of N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is UQHWMRMSVRCCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-3-28(25,26)23-14-16-7-10-19(11-8-16)24-21-12-9-18(15-22-21)17-5-4-6-20(13-17)27-2/h4-6,9,12-13,15-16,19,23H,3,7-8,10-11,14H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[5-(3-methoxyphenyl)-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 59231588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).