N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

C24H40N2O2S — CID 70939085

IUPACN-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC1CC(C)CC(c2ccc(NCC3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1
InChIInChI=1S/C24H40N2O2S/c1-17(2)29(27,28)26-24-9-5-20(6-10-24)16-25-23-11-7-21(8-12-23)22-14-18(3)13-19(4)15-22/h7-8,11-12,17-20,22,24-26H,5-6,9-10,13-16H2,1-4H3
InChIKeyBEMXDHNMYYCJHS-UHFFFAOYSA-N
MW420.66 g/mol
LogP5.52
Rot. Bonds7

About N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70939085) has the molecular formula C24H40N2O2S and a molecular weight of 420.66 g/mol. Its IUPAC name is N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70939085
Molecular FormulaC24H40N2O2S
Molecular Weight420.66 g/mol
Exact Mass420.28
IUPAC NameN-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC1CC(C)CC(c2ccc(NCC3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1
InChIInChI=1S/C24H40N2O2S/c1-17(2)29(27,28)26-24-9-5-20(6-10-24)16-25-23-11-7-21(8-12-23)22-14-18(3)13-19(4)15-22/h7-8,11-12,17-20,22,24-26H,5-6,9-10,13-16H2,1-4H3
InChIKeyBEMXDHNMYYCJHS-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.66
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[4-[[4-(2,6-dimethyloxan-4-yl)oxyanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939123
N-[4-[[4-(2,5-dihydropyrrol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230320
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938861
N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230354
N-[4-[[4-[(2R,6S)-3-fluoro-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376791
N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
CID 70938922
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376576
N-[4-[[4-[(5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70910997
N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 59230270
N-[4-[(1H-indazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939655
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938806

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 70939085) is N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is CC1CC(C)CC(c2ccc(NCC3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1.
What is the InChIKey of N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is BEMXDHNMYYCJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2S/c1-17(2)29(27,28)26-24-9-5-20(6-10-24)16-25-23-11-7-21(8-12-23)22-14-18(3)13-19(4)15-22/h7-8,11-12,17-20,22,24-26H,5-6,9-10,13-16H2,1-4H3.
What are the key properties of N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 420.66 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70939085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).