2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide

C20H25N3O5S — CID 31324729

IUPAC2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1NC(C)=O
InChIInChI=1S/C20H25N3O5S/c1-13(2)12-21-20(25)16-7-5-6-8-17(16)23-29(26,27)15-9-10-19(28-4)18(11-15)22-14(3)24/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyASLFWVXAYAIEGU-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.84
Rot. Bonds8

About 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide

2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide (PubChem CID 31324729) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
PubChem CID31324729
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1NC(C)=O
InChIInChI=1S/C20H25N3O5S/c1-13(2)12-21-20(25)16-7-5-6-8-17(16)23-29(26,27)15-9-10-19(28-4)18(11-15)22-14(3)24/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyASLFWVXAYAIEGU-UHFFFAOYSA-N
XLogP2.84
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 71903202
ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
CID 26969690
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 100715266
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 40607885
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 31324731
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide (CID 31324729) is 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1NC(C)=O.
What is the InChIKey of 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is ASLFWVXAYAIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-13(2)12-21-20(25)16-7-5-6-8-17(16)23-29(26,27)15-9-10-19(28-4)18(11-15)22-14(3)24/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 419.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 31324729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).