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

C14H18N4O4S — CID 3239582

IUPAC2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O4S/c1-18(23(20,21)14-8-15-10-17-14)9-13(19)16-7-11-4-3-5-12(6-11)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyXTCWZDFKBNCHLM-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.36
Rot. Bonds7

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

2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 3239582) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID3239582
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O4S/c1-18(23(20,21)14-8-15-10-17-14)9-13(19)16-7-11-4-3-5-12(6-11)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyXTCWZDFKBNCHLM-UHFFFAOYSA-N
XLogP0.36
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide (CID 3239582) is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is XTCWZDFKBNCHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-18(23(20,21)14-8-15-10-17-14)9-13(19)16-7-11-4-3-5-12(6-11)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3239582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).