2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C20H26N2O4S — CID 4552394

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-13(2)18-8-6-7-14(3)19(18)21-20(23)15(4)22-27(24,25)17-11-9-16(26-5)10-12-17/h6-13,15,22H,1-5H3,(H,21,23)
InChIKeyFSYSYDQRPUBUJN-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.43
Rot. Bonds7

About 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 4552394) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID4552394
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-13(2)18-8-6-7-14(3)19(18)21-20(23)15(4)22-27(24,25)17-11-9-16(26-5)10-12-17/h6-13,15,22H,1-5H3,(H,21,23)
InChIKeyFSYSYDQRPUBUJN-UHFFFAOYSA-N
XLogP3.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.43
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)-3-phenylpropanamide
CID 43890790
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 43890547
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 50740247
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473390
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51191193
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 4552394) is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is FSYSYDQRPUBUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-13(2)18-8-6-7-14(3)19(18)21-20(23)15(4)22-27(24,25)17-11-9-16(26-5)10-12-17/h6-13,15,22H,1-5H3,(H,21,23).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 4552394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).