N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide

C22H30N2O3S — CID 91500857

IUPACN-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-5-6-18-7-9-20(10-8-18)22(25)24-21-13-11-19(12-14-21)17(4)15-23-28(26,27)16(2)3/h7-14,16-17,23H,5-6,15H2,1-4H3,(H,24,25)
InChIKeyQIXAAVNQMMFJTH-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.32
Rot. Bonds9

About N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide

N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide (PubChem CID 91500857) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide
PubChem CID91500857
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-5-6-18-7-9-20(10-8-18)22(25)24-21-13-11-19(12-14-21)17(4)15-23-28(26,27)16(2)3/h7-14,16-17,23H,5-6,15H2,1-4H3,(H,24,25)
InChIKeyQIXAAVNQMMFJTH-UHFFFAOYSA-N
XLogP4.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide?
The IUPAC name of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide (CID 91500857) is N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide.
What is the SMILES notation for N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide?
The canonical SMILES for N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide?
The InChIKey is QIXAAVNQMMFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-5-6-18-7-9-20(10-8-18)22(25)24-21-13-11-19(12-14-21)17(4)15-23-28(26,27)16(2)3/h7-14,16-17,23H,5-6,15H2,1-4H3,(H,24,25).
What are the key properties of N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide?
N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide has a molecular weight of 402.56 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-propylbenzamide is sourced from PubChem (CID 91500857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).