2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C25H28N2O4S — CID 92682909

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)31-21-13-11-20(12-14-21)17-26-25(28)23-7-5-6-8-24(23)27(4)32(29,30)22-15-9-19(3)10-16-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyAEARWFUGAPDYQN-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.54
Rot. Bonds8

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 92682909) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID92682909
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)31-21-13-11-20(12-14-21)17-26-25(28)23-7-5-6-8-24(23)27(4)32(29,30)22-15-9-19(3)10-16-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyAEARWFUGAPDYQN-UHFFFAOYSA-N
XLogP4.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634112
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30306036
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide
CID 126337845
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679888
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30214829
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 43907685

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 92682909) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is AEARWFUGAPDYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18(2)31-21-13-11-20(12-14-21)17-26-25(28)23-7-5-6-8-24(23)27(4)32(29,30)22-15-9-19(3)10-16-22/h5-16,18H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 92682909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).