2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

C20H34N2O2S — CID 70938806

IUPAC2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H34N2O2S/c1-15(2)17-8-12-18(13-9-17)21-14-16-6-10-19(11-7-16)22-25(23,24)20(3,4)5/h8-9,12-13,15-16,19,21-22H,6-7,10-11,14H2,1-5H3
InChIKeyMADGCLNTPMWUKR-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.50
Rot. Bonds6

About 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70938806) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70938806
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC Name2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H34N2O2S/c1-15(2)17-8-12-18(13-9-17)21-14-16-6-10-19(11-7-16)22-25(23,24)20(3,4)5/h8-9,12-13,15-16,19,21-22H,6-7,10-11,14H2,1-5H3
InChIKeyMADGCLNTPMWUKR-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
CID 70939054
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
N-[4-[[4-[(5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70910997
2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70938893
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70938882
N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939338
2-methyl-N-[4-[[(2-methyl-1,3-dioxoisoindol-5-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939068
2-methyl-N-[4-[[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230888
N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70938718
N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (CID 70938806) is 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is MADGCLNTPMWUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-15(2)17-8-12-18(13-9-17)21-14-16-6-10-19(11-7-16)22-25(23,24)20(3,4)5/h8-9,12-13,15-16,19,21-22H,6-7,10-11,14H2,1-5H3.
What are the key properties of 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 366.57 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70938806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).