N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide

C18H23N3O4S2 — CID 27808046

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C18H23N3O4S2/c1-13-7-5-8-15(14(13)2)19-16(22)11-20(3)17(23)12-21(4)27(24,25)18-9-6-10-26-18/h5-10H,11-12H2,1-4H3,(H,19,22)
InChIKeyVVWZLTQHAUDBHF-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.08
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide (PubChem CID 27808046) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
PubChem CID27808046
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C18H23N3O4S2/c1-13-7-5-8-15(14(13)2)19-16(22)11-20(3)17(23)12-21(4)27(24,25)18-9-6-10-26-18/h5-10H,11-12H2,1-4H3,(H,19,22)
InChIKeyVVWZLTQHAUDBHF-UHFFFAOYSA-N
XLogP2.08
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527
N-(2,3-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314170
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-propoxyphenyl)acetamide
CID 24581765
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115594805

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide (CID 27808046) is N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide?
The InChIKey is VVWZLTQHAUDBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-13-7-5-8-15(14(13)2)19-16(22)11-20(3)17(23)12-21(4)27(24,25)18-9-6-10-26-18/h5-10H,11-12H2,1-4H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 27808046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).