N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide

C25H28N2O3S — CID 30392525

IUPACN-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-8-10-21(11-9-19)17-26(3)25(28)23-14-12-22(13-15-23)18-27(31(4,29)30)24-7-5-6-20(2)16-24/h5-16H,17-18H2,1-4H3
InChIKeyKMNPTDFXQUGIKR-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.54
Rot. Bonds7

About N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide

N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 30392525) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID30392525
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-8-10-21(11-9-19)17-26(3)25(28)23-14-12-22(13-15-23)18-27(31(4,29)30)24-7-5-6-20(2)16-24/h5-16H,17-18H2,1-4H3
InChIKeyKMNPTDFXQUGIKR-UHFFFAOYSA-N
XLogP4.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 46772102
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821
N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
CID 967645
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-benzyl-N-methyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246656
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 38017941
N-[(4-chlorophenyl)methyl]-N-methyl-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 46763476
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 125077384
N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 28578521
N-ethyl-2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132675962
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 100568377

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 30392525) is N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is KMNPTDFXQUGIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19-8-10-21(11-9-19)17-26(3)25(28)23-14-12-22(13-15-23)18-27(31(4,29)30)24-7-5-6-20(2)16-24/h5-16H,17-18H2,1-4H3.
What are the key properties of N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide?
N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 30392525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).