N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

C19H23N3O6S2 — CID 1025596

IUPACN-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C19H23N3O6S2/c1-14(23)21-15-4-8-19(9-5-15)30(26,27)22-16-6-10-18(11-7-16)29(24,25)20-13-17-3-2-12-28-17/h4-11,17,20,22H,2-3,12-13H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyVLVJPRPEAFQEJR-QGZVFWFLSA-N
MW453.54 g/mol
LogP1.90
Rot. Bonds8

About N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 1025596) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID1025596
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC NameN-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C19H23N3O6S2/c1-14(23)21-15-4-8-19(9-5-15)30(26,27)22-16-6-10-18(11-7-16)29(24,25)20-13-17-3-2-12-28-17/h4-11,17,20,22H,2-3,12-13H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyVLVJPRPEAFQEJR-QGZVFWFLSA-N
XLogP1.90
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (CID 1025596) is N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is VLVJPRPEAFQEJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-14(23)21-15-4-8-19(9-5-15)30(26,27)22-16-6-10-18(11-7-16)29(24,25)20-13-17-3-2-12-28-17/h4-11,17,20,22H,2-3,12-13H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1025596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).