N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide

C19H30N2O4S2 — CID 25004713

IUPACN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1nc(C2CCCCC2)cs1)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C19H30N2O4S2/c1-19(2,27(23,24)13-14-8-10-25-11-9-14)17(22)21-18-20-16(12-26-18)15-6-4-3-5-7-15/h12,14-15H,3-11,13H2,1-2H3,(H,20,21,22)
InChIKeyZTHGWCRSZGDDEG-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.75
Rot. Bonds6

About N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide

N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (PubChem CID 25004713) has the molecular formula C19H30N2O4S2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
PubChem CID25004713
Molecular FormulaC19H30N2O4S2
Molecular Weight414.59 g/mol
Exact Mass414.16
IUPAC NameN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1nc(C2CCCCC2)cs1)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C19H30N2O4S2/c1-19(2,27(23,24)13-14-8-10-25-11-9-14)17(22)21-18-20-16(12-26-18)15-6-4-3-5-7-15/h12,14-15H,3-11,13H2,1-2H3,(H,20,21,22)
InChIKeyZTHGWCRSZGDDEG-UHFFFAOYSA-N
XLogP3.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The IUPAC name of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide (CID 25004713) is N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide.
What is the SMILES notation for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The canonical SMILES for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide is CC(C)(C(=O)Nc1nc(C2CCCCC2)cs1)S(=O)(=O)CC1CCOCC1.
What is the InChIKey of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
The InChIKey is ZTHGWCRSZGDDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S2/c1-19(2,27(23,24)13-14-8-10-25-11-9-14)17(22)21-18-20-16(12-26-18)15-6-4-3-5-7-15/h12,14-15H,3-11,13H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide?
N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide has a molecular weight of 414.59 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 25004713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).