N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide

C14H21N3O4S — CID 154743974

IUPACN-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide
SMILESCCc1ccc(C(COC)NS(=O)(=O)CCn2ccnc2)o1
InChIInChI=1S/C14H21N3O4S/c1-3-12-4-5-14(21-12)13(10-20-2)16-22(18,19)9-8-17-7-6-15-11-17/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyAHRGCJRRNVCXKK-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.35
Rot. Bonds9

About N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide

N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide (PubChem CID 154743974) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide
PubChem CID154743974
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide
SMILESCCc1ccc(C(COC)NS(=O)(=O)CCn2ccnc2)o1
InChIInChI=1S/C14H21N3O4S/c1-3-12-4-5-14(21-12)13(10-20-2)16-22(18,19)9-8-17-7-6-15-11-17/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyAHRGCJRRNVCXKK-UHFFFAOYSA-N
XLogP1.35
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
CID 99846943
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide
CID 125421608
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996551
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide
CID 126814451
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
CID 56750457
N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide
CID 166360372
1-(2-methoxyethyl)imidazole
CID 14366840
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111507646
ethane;1-(methoxymethyl)imidazole
CID 91425375

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide (CID 154743974) is N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide is CCc1ccc(C(COC)NS(=O)(=O)CCn2ccnc2)o1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide?
The InChIKey is AHRGCJRRNVCXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-3-12-4-5-14(21-12)13(10-20-2)16-22(18,19)9-8-17-7-6-15-11-17/h4-7,11,13,16H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide?
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide is sourced from PubChem (CID 154743974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).