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

C20H26N2O3S — CID 91336334

IUPAC4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(2)26(24,25)21-13-16(4)17-9-11-19(12-10-17)22-20(23)18-7-5-15(3)6-8-18/h5-12,14,16,21H,13H2,1-4H3,(H,22,23)
InChIKeyQOTCSLRMEDYAKN-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.68
Rot. Bonds7

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

4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (PubChem CID 91336334) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
PubChem CID91336334
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(2)26(24,25)21-13-16(4)17-9-11-19(12-10-17)22-20(23)18-7-5-15(3)6-8-18/h5-12,14,16,21H,13H2,1-4H3,(H,22,23)
InChIKeyQOTCSLRMEDYAKN-UHFFFAOYSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (CID 91336334) is 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The InChIKey is QOTCSLRMEDYAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)26(24,25)21-13-16(4)17-9-11-19(12-10-17)22-20(23)18-7-5-15(3)6-8-18/h5-12,14,16,21H,13H2,1-4H3,(H,22,23).
What are the key properties of 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is sourced from PubChem (CID 91336334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).