N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide

C20H25N3O4S — CID 46415351

IUPACN,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-8-10-18(11-9-15)28(26,27)23(4)14-19(24)21-13-16-6-5-7-17(12-16)20(25)22(2)3/h5-12H,13-14H2,1-4H3,(H,21,24)
InChIKeyWNIJSMIGNGXUBE-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.63
Rot. Bonds7

About N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide

N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide (PubChem CID 46415351) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
PubChem CID46415351
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-8-10-18(11-9-15)28(26,27)23(4)14-19(24)21-13-16-6-5-7-17(12-16)20(25)22(2)3/h5-12H,13-14H2,1-4H3,(H,21,24)
InChIKeyWNIJSMIGNGXUBE-UHFFFAOYSA-N
XLogP1.63
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 39689019
3-[[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]methyl]-N-ethylbenzamide
CID 55848509
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
3-[[[2-(3-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzoic acid
CID 58009575
N-[(3-methylphenyl)methyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100794524
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
3-[[[2-(5-fluoro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzoic acid
CID 58009510
3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide
CID 58009436
N-[2-[2-[2-(3-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 4789278
3-[[[2-[2-methyl-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]methyl]benzoic acid
CID 58009717
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100563559

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide (CID 46415351) is N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide?
The InChIKey is WNIJSMIGNGXUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-8-10-18(11-9-15)28(26,27)23(4)14-19(24)21-13-16-6-5-7-17(12-16)20(25)22(2)3/h5-12H,13-14H2,1-4H3,(H,21,24).
What are the key properties of N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide?
N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 46415351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).