N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C20H26N2O3S — CID 46587654

IUPACN-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCC1=CC(=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=C(C=CC(=C2)C)C)C
InChIInChI=1S/C20H26N2O3S/c1-14-6-8-18(17(4)11-14)13-21-20(23)9-10-22-26(24,25)19-12-15(2)5-7-16(19)3/h5-8,11-12,22H,9-10,13H2,1-4H3,(H,21,23)
InChIKeyKCFWBFQSQGBYMB-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.10
Rot. Bonds7

About N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 46587654) has the molecular formula C20H26N2O3S and a molecular weight of 374.50 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID46587654
Molecular FormulaC20H26N2O3S
Molecular Weight374.50 g/mol
Exact Mass374.17
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCC1=CC(=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=C(C=CC(=C2)C)C)C
InChIInChI=1S/C20H26N2O3S/c1-14-6-8-18(17(4)11-14)13-21-20(23)9-10-22-26(24,25)19-12-15(2)5-7-16(19)3/h5-8,11-12,22H,9-10,13H2,1-4H3,(H,21,23)
InChIKeyKCFWBFQSQGBYMB-UHFFFAOYSA-N
XLogP3.10
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity558

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 46587654) is N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is CC1=CC(=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=C(C=CC(=C2)C)C)C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is KCFWBFQSQGBYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-6-8-18(17(4)11-14)13-21-20(23)9-10-22-26(24,25)19-12-15(2)5-7-16(19)3/h5-8,11-12,22H,9-10,13H2,1-4H3,(H,21,23).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 374.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 46587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).