3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C21H26N2O4S — CID 112789074

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O4S/c1-14(2)19-7-5-6-15(3)21(19)23-20(25)12-13-22-28(26,27)18-10-8-17(9-11-18)16(4)24/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)
InChIKeyGBRWXDVBWSPMNR-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.63
Rot. Bonds8

About 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 112789074) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID112789074
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O4S/c1-14(2)19-7-5-6-15(3)21(19)23-20(25)12-13-22-28(26,27)18-10-8-17(9-11-18)16(4)24/h5-11,14,22H,12-13H2,1-4H3,(H,23,25)
InChIKeyGBRWXDVBWSPMNR-UHFFFAOYSA-N
XLogP3.63
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789058
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571060
2-(4-acetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008153
3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130872
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 55362076
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 33276915
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035867
2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
CID 108796274
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 112762702

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 112789074) is 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is GBRWXDVBWSPMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14(2)19-7-5-6-15(3)21(19)23-20(25)12-13-22-28(26,27)18-10-8-17(9-11-18)16(4)24/h5-11,14,22H,12-13H2,1-4H3,(H,23,25).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 402.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 112789074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).