2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C22H31N3O4S — CID 55411502

IUPAC2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H31N3O4S/c1-16(2)18-8-6-17(7-9-18)12-13-23-22(26)15-24-20-14-19(10-11-21(20)29-5)30(27,28)25(3)4/h6-11,14,16,24H,12-13,15H2,1-5H3,(H,23,26)
InChIKeyCDZHDWXVMDKZNV-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.84
Rot. Bonds10

About 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 55411502) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID55411502
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H31N3O4S/c1-16(2)18-8-6-17(7-9-18)12-13-23-22(26)15-24-20-14-19(10-11-21(20)29-5)30(27,28)25(3)4/h6-11,14,16,24H,12-13,15H2,1-5H3,(H,23,26)
InChIKeyCDZHDWXVMDKZNV-UHFFFAOYSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide
CID 87029422
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 46607894
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 16568291
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 78793009
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 41291640
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
CID 33173643
N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 4884058
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 55411502) is 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NCCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is CDZHDWXVMDKZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-16(2)18-8-6-17(7-9-18)12-13-23-22(26)15-24-20-14-19(10-11-21(20)29-5)30(27,28)25(3)4/h6-11,14,16,24H,12-13,15H2,1-5H3,(H,23,26).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 433.57 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 55411502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).