2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C23H32N2O4S — CID 43890547

IUPAC2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C23H32N2O4S/c1-14(2)18-11-12-20(29-7)21(13-18)30(27,28)25-17(6)23(26)24-22-16(5)9-8-10-19(22)15(3)4/h8-15,17,25H,1-7H3,(H,24,26)
InChIKeyWBENGUMLHGLBJK-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.56
Rot. Bonds8

About 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 43890547) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID43890547
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C23H32N2O4S/c1-14(2)18-11-12-20(29-7)21(13-18)30(27,28)25-17(6)23(26)24-22-16(5)9-8-10-19(22)15(3)4/h8-15,17,25H,1-7H3,(H,24,26)
InChIKeyWBENGUMLHGLBJK-UHFFFAOYSA-N
XLogP4.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 4552394
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890485
N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890502
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 132665763
N-(2,6-difluorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890625
N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890621
N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891174
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 93486919
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 124549696

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 43890547) is 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC(C)C(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is WBENGUMLHGLBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-14(2)18-11-12-20(29-7)21(13-18)30(27,28)25-17(6)23(26)24-22-16(5)9-8-10-19(22)15(3)4/h8-15,17,25H,1-7H3,(H,24,26).
What are the key properties of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 432.59 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 43890547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).