2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide

C26H30N2O4S — CID 43890790

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C26H30N2O4S/c1-18(2)23-12-8-9-19(3)25(23)27-26(29)24(17-20-10-6-5-7-11-20)28-33(30,31)22-15-13-21(32-4)14-16-22/h5-16,18,24,28H,17H2,1-4H3,(H,27,29)
InChIKeyZODPLGSSBRYGRM-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.66
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide

2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide (PubChem CID 43890790) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide
PubChem CID43890790
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C26H30N2O4S/c1-18(2)23-12-8-9-19(3)25(23)27-26(29)24(17-20-10-6-5-7-11-20)28-33(30,31)22-15-13-21(32-4)14-16-22/h5-16,18,24,28H,17H2,1-4H3,(H,27,29)
InChIKeyZODPLGSSBRYGRM-UHFFFAOYSA-N
XLogP4.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890719
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 4552394
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891448
N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890775
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
CID 28539074
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 28538282
(2R)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541697
(2S)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541699
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide (CID 43890790) is 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide?
The InChIKey is ZODPLGSSBRYGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-18(2)23-12-8-9-19(3)25(23)27-26(29)24(17-20-10-6-5-7-11-20)28-33(30,31)22-15-13-21(32-4)14-16-22/h5-16,18,24,28H,17H2,1-4H3,(H,27,29).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide has a molecular weight of 466.60 g/mol, XLogP of 4.66, 9 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)-3-phenylpropanamide is sourced from PubChem (CID 43890790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).