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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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6493524
N-[2-(3-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3236770
N-[2-(4-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3238138
N~1~-(3,5-dimethylphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 3238319
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(3-methylphenyl)glycinamide
CID 3238708
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-4-sulfonamide
CID 3240199
N-{2-[benzyl(methyl)amino]ethyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3240457
1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 5307129
(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5307287
1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 5307476
1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 5308284
N-benzyl-N-butyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5309447

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).