5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide

C24H32N2O4S — CID 124737641

IUPAC5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@H]3CCOC3)c2)cc1
InChIInChI=1S/C24H32N2O4S/c1-4-5-6-19-8-10-21(11-9-19)26-31(28,29)22-12-7-17(2)23(15-22)24(27)25-18(3)20-13-14-30-16-20/h7-12,15,18,20,26H,4-6,13-14,16H2,1-3H3,(H,25,27)/t18-,20+/m1/s1
InChIKeyPURPTRJYBCDXQZ-QUCCMNQESA-N
MW444.60 g/mol
LogP4.29
Rot. Bonds9

About 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide

5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide (PubChem CID 124737641) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
PubChem CID124737641
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@H]3CCOC3)c2)cc1
InChIInChI=1S/C24H32N2O4S/c1-4-5-6-19-8-10-21(11-9-19)26-31(28,29)22-12-7-17(2)23(15-22)24(27)25-18(3)20-13-14-30-16-20/h7-12,15,18,20,26H,4-6,13-14,16H2,1-3H3,(H,25,27)/t18-,20+/m1/s1
InChIKeyPURPTRJYBCDXQZ-QUCCMNQESA-N
XLogP4.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide (CID 124737641) is 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide is CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@H]3CCOC3)c2)cc1.
What is the InChIKey of 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is PURPTRJYBCDXQZ-QUCCMNQESA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-4-5-6-19-8-10-21(11-9-19)26-31(28,29)22-12-7-17(2)23(15-22)24(27)25-18(3)20-13-14-30-16-20/h7-12,15,18,20,26H,4-6,13-14,16H2,1-3H3,(H,25,27)/t18-,20+/m1/s1.
What are the key properties of 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 124737641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).