2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide

C21H27N3O6S2 — CID 3213071

IUPAC2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16-3-5-17(6-4-16)22-21(25)15-24(13-14-30-2)32(28,29)20-11-9-19(10-12-20)31(26,27)23-18-7-8-18/h3-6,9-12,18,23H,7-8,13-15H2,1-2H3,(H,22,25)
InChIKeyMRVRCILFECOCCE-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.71
Rot. Bonds11

About 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide

2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 3213071) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID3213071
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16-3-5-17(6-4-16)22-21(25)15-24(13-14-30-2)32(28,29)20-11-9-19(10-12-20)31(26,27)23-18-7-8-18/h3-6,9-12,18,23H,7-8,13-15H2,1-2H3,(H,22,25)
InChIKeyMRVRCILFECOCCE-UHFFFAOYSA-N
XLogP1.71
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930
ethyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 4675849
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4027759
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
ethyl 4-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 1333816
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 7436765
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-3-methoxy-2-methylpropanamide
CID 124843343
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 3202155

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide (CID 3213071) is 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide is COCCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is MRVRCILFECOCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-16-3-5-17(6-4-16)22-21(25)15-24(13-14-30-2)32(28,29)20-11-9-19(10-12-20)31(26,27)23-18-7-8-18/h3-6,9-12,18,23H,7-8,13-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide?
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 481.60 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3213071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).