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

C14H18N4O3S — CID 3237469

IUPACN-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O3S/c1-3-11-5-4-6-12(7-11)17-13(19)9-18(2)22(20,21)14-8-15-10-16-14/h4-8,10H,3,9H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyMWUWPBOVIGVXOG-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.23
Rot. Bonds6

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

N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 3237469) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID3237469
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O3S/c1-3-11-5-4-6-12(7-11)17-13(19)9-18(2)22(20,21)14-8-15-10-16-14/h4-8,10H,3,9H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyMWUWPBOVIGVXOG-UHFFFAOYSA-N
XLogP1.23
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (CID 3237469) is N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is MWUWPBOVIGVXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-3-11-5-4-6-12(7-11)17-13(19)9-18(2)22(20,21)14-8-15-10-16-14/h4-8,10H,3,9H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 3237469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).