N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide

C15H26N4O4S — CID 56916459

IUPACN-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide
SMILESCCc1nccn1CC(=O)N1CCCC(O)(CNS(C)(=O)=O)CC1
InChIInChI=1S/C15H26N4O4S/c1-3-13-16-7-10-19(13)11-14(20)18-8-4-5-15(21,6-9-18)12-17-24(2,22)23/h7,10,17,21H,3-6,8-9,11-12H2,1-2H3
InChIKeyZXDXHRYYBQPOIZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP-0.26
Rot. Bonds6

About N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide

N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide (PubChem CID 56916459) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide
PubChem CID56916459
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC NameN-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide
SMILESCCc1nccn1CC(=O)N1CCCC(O)(CNS(C)(=O)=O)CC1
InChIInChI=1S/C15H26N4O4S/c1-3-13-16-7-10-19(13)11-14(20)18-8-4-5-15(21,6-9-18)12-17-24(2,22)23/h7,10,17,21H,3-6,8-9,11-12H2,1-2H3
InChIKeyZXDXHRYYBQPOIZ-UHFFFAOYSA-N
XLogP-0.26
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 155991776
1-(2,7-diazaspiro[4.5]decan-7-yl)-2-(2-ethylimidazol-1-yl)ethanone
CID 56746292
N-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide
CID 56886673
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852578
2-(2-ethylimidazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]acetamide
CID 124944278
1-(azepan-1-yl)-2-[2-(hydroxymethyl)imidazol-1-yl]ethanone
CID 55048705
2-[(3S)-1-[2-(2-ethylimidazol-1-yl)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124945608
2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66401124
8-[2-(2-ethylimidazol-1-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745324
2-(2-ethylimidazol-1-yl)-1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]ethanone
CID 124977233
2-(2-ethylimidazol-1-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 56895286

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide (CID 56916459) is N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide is CCc1nccn1CC(=O)N1CCCC(O)(CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide?
The InChIKey is ZXDXHRYYBQPOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-3-13-16-7-10-19(13)11-14(20)18-8-4-5-15(21,6-9-18)12-17-24(2,22)23/h7,10,17,21H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide?
N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56916459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).