1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide

C24H33N3O4S — CID 69166028

IUPAC1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(Cc2cc(-c3ccc(N(C)S(C)(=O)=O)cc3)ccc2OC)(C(N)=O)CC1
InChIInChI=1S/C24H33N3O4S/c1-26-20-11-13-24(14-12-20,23(25)28)16-19-15-18(7-10-22(19)31-3)17-5-8-21(9-6-17)27(2)32(4,29)30/h5-10,15,20,26H,11-14,16H2,1-4H3,(H2,25,28)
InChIKeyQTDXHHUONYKJHB-UHFFFAOYSA-N
MW459.61 g/mol
LogP2.93
Rot. Bonds8

About 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide

1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 69166028) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID69166028
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(Cc2cc(-c3ccc(N(C)S(C)(=O)=O)cc3)ccc2OC)(C(N)=O)CC1
InChIInChI=1S/C24H33N3O4S/c1-26-20-11-13-24(14-12-20,23(25)28)16-19-15-18(7-10-22(19)31-3)17-5-8-21(9-6-17)27(2)32(4,29)30/h5-10,15,20,26H,11-14,16H2,1-4H3,(H2,25,28)
InChIKeyQTDXHHUONYKJHB-UHFFFAOYSA-N
XLogP2.93
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69164482
1-[[5-(2-amino-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;dihydrochloride
CID 69164515
1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166712
1-[[2-methoxy-5-(2-methylsulfanylphenyl)phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165476
1-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165235
1-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-4-(diethylamino)cyclohexane-1-carboxamide
CID 69187688
N-[1-[[5-[4-(dimethylsulfamoyl)phenyl]-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexyl]-2,2,2-trifluoroacetamide
CID 87719383
N-[[5-[4-[acetyl(methyl)amino]phenyl]-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166607
N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786982
1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727816
[4-[[5-[4-(methanesulfonamido)phenyl]-2-methoxyphenyl]methylamino]cyclohexyl]-methylcarbamic acid
CID 69165744
4-[2-methoxy-4-[methyl(methylsulfonyl)amino]phenyl]benzoic acid
CID 71225781

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (CID 69166028) is 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(Cc2cc(-c3ccc(N(C)S(C)(=O)=O)cc3)ccc2OC)(C(N)=O)CC1.
What is the InChIKey of 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is QTDXHHUONYKJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-26-20-11-13-24(14-12-20,23(25)28)16-19-15-18(7-10-22(19)31-3)17-5-8-21(9-6-17)27(2)32(4,29)30/h5-10,15,20,26H,11-14,16H2,1-4H3,(H2,25,28).
What are the key properties of 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 459.61 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 69166028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).