N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C20H27N3O4S — CID 20628843

IUPACN-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCc1cc(-c2ncco2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C20H27N3O4S/c1-13(2)28(25,26)23-17-7-4-15(5-8-17)19(24)22-18-9-6-16(12-14(18)3)20-21-10-11-27-20/h6,9-13,15,17,23H,4-5,7-8H2,1-3H3,(H,22,24)
InChIKeyAABYAQUFWJOZOF-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.48
Rot. Bonds6

About N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20628843) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20628843
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCc1cc(-c2ncco2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C20H27N3O4S/c1-13(2)28(25,26)23-17-7-4-15(5-8-17)19(24)22-18-9-6-16(12-14(18)3)20-21-10-11-27-20/h6,9-13,15,17,23H,4-5,7-8H2,1-3H3,(H,22,24)
InChIKeyAABYAQUFWJOZOF-UHFFFAOYSA-N
XLogP3.48
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629127
N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20628841
N-[(4R)-2-methyl-4-[[2-methyl-4-(1,3-oxazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939367
N-[4-(furan-2-yl)-2,3-dimethylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630144
3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551453
methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58292157
N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630288
4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide
CID 20628760
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20628843) is N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is Cc1cc(-c2ncco2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is AABYAQUFWJOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-13(2)28(25,26)23-17-7-4-15(5-8-17)19(24)22-18-9-6-16(12-14(18)3)20-21-10-11-27-20/h6,9-13,15,17,23H,4-5,7-8H2,1-3H3,(H,22,24).
What are the key properties of N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20628843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).