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

C15H20N4O3S — CID 12005449

IUPAC2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C15H20N4O3S/c1-12-4-3-5-13(8-12)6-7-17-14(20)10-19(2)23(21,22)15-9-16-11-18-15/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyMRZJYTXVMZVBES-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.70
Rot. Bonds7

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

2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide (PubChem CID 12005449) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide
PubChem CID12005449
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C15H20N4O3S/c1-12-4-3-5-13(8-12)6-7-17-14(20)10-19(2)23(21,22)15-9-16-11-18-15/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyMRZJYTXVMZVBES-UHFFFAOYSA-N
XLogP0.70
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide (CID 12005449) is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide is Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide?
The InChIKey is MRZJYTXVMZVBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-12-4-3-5-13(8-12)6-7-17-14(20)10-19(2)23(21,22)15-9-16-11-18-15/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide?
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[2-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 12005449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).