2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide

C23H31N3O6S2 — CID 3202225

IUPAC2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C23H31N3O6S2/c1-3-18(2)25-33(28,29)21-11-13-22(14-12-21)34(30,31)26(16-20-10-7-15-32-20)17-23(27)24-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,20,25H,3,7,10,15-17H2,1-2H3,(H,24,27)
InChIKeyRYOGQSCHULUCMJ-UHFFFAOYSA-N
MW509.65 g/mol
LogP2.57
Rot. Bonds11

About 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide

2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 3202225) has the molecular formula C23H31N3O6S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID3202225
Molecular FormulaC23H31N3O6S2
Molecular Weight509.65 g/mol
Exact Mass509.17
IUPAC Name2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C23H31N3O6S2/c1-3-18(2)25-33(28,29)21-11-13-22(14-12-21)34(30,31)26(16-20-10-7-15-32-20)17-23(27)24-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,20,25H,3,7,10,15-17H2,1-2H3,(H,24,27)
InChIKeyRYOGQSCHULUCMJ-UHFFFAOYSA-N
XLogP2.57
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
2-{(2-Methoxy-ethyl)-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-amino}-N-phenyl-acetamide
CID 644798
2-[(4-Cyclohexylsulfamoyl-benzenesulfonyl)-cyclopropyl-amino]-N-phenyl-acetamide
CID 647336
N-(4-Cyclohexylsulfamoyl-phenyl)-2-morpholin-4-yl-acetamide
CID 647448
N-[4-(2,6-Dimethyl-piperidine-1-sulfonyl)-phenyl]-2-[(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 649812
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1006632
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}tetrahydro-2-furancarboxamide
CID 2971240
N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155135
N-Phenyl-2-((tetrahydro-furan-2-ylmethyl)-{4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzenesulfonyl}-amino)-acetamide
CID 3202224
2-[(2-Benzenesulfonylamino-acetyl)-(4-fluoro-phenyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3206858
N-{4-[(dipropylamino)sulfonyl]phenyl}tetrahydro-2-furancarboxamide
CID 3987088
N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 5132730

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (CID 3202225) is 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is CCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1.
What is the InChIKey of 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is RYOGQSCHULUCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S2/c1-3-18(2)25-33(28,29)21-11-13-22(14-12-21)34(30,31)26(16-20-10-7-15-32-20)17-23(27)24-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,20,25H,3,7,10,15-17H2,1-2H3,(H,24,27).
What are the key properties of 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 509.65 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butan-2-ylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 3202225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).