N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

C14H18N4O3S — CID 3238319

IUPACN-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O3S/c1-10-4-11(2)6-12(5-10)17-13(19)8-18(3)22(20,21)14-7-15-9-16-14/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyDKLFQQDZWMEGNG-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.29
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 3238319) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID3238319
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O3S/c1-10-4-11(2)6-12(5-10)17-13(19)8-18(3)22(20,21)14-7-15-9-16-14/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyDKLFQQDZWMEGNG-UHFFFAOYSA-N
XLogP1.29
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (CID 3238319) is N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is DKLFQQDZWMEGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-4-11(2)6-12(5-10)17-13(19)8-18(3)22(20,21)14-7-15-9-16-14/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,19).
What are the key properties of N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 3238319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).