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

C22H27N3O6S2 — CID 649381

IUPAC2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1
InChIInChI=1S/C22H27N3O6S2/c26-22(23-17-5-2-1-3-6-17)16-25(15-19-7-4-14-31-19)33(29,30)21-12-10-20(11-13-21)32(27,28)24-18-8-9-18/h1-3,5-6,10-13,18-19,24H,4,7-9,14-16H2,(H,23,26)
InChIKeyDSJBCAZKAGRZFZ-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.94
Rot. Bonds10

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

2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 649381) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID649381
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC Name2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1
InChIInChI=1S/C22H27N3O6S2/c26-22(23-17-5-2-1-3-6-17)16-25(15-19-7-4-14-31-19)33(29,30)21-12-10-20(11-13-21)32(27,28)24-18-8-9-18/h1-3,5-6,10-13,18-19,24H,4,7-9,14-16H2,(H,23,26)
InChIKeyDSJBCAZKAGRZFZ-UHFFFAOYSA-N
XLogP1.94
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (CID 649381) is 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is O=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is DSJBCAZKAGRZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c26-22(23-17-5-2-1-3-6-17)16-25(15-19-7-4-14-31-19)33(29,30)21-12-10-20(11-13-21)32(27,28)24-18-8-9-18/h1-3,5-6,10-13,18-19,24H,4,7-9,14-16H2,(H,23,26).
What are the key properties of 2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(oxolan-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 493.61 g/mol, XLogP of 1.94, 10 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-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 649381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).