N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide

C18H27N3O5S — CID 32600877

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)C3CCN(S(N)(=O)=O)CC3)c2O1
InChIInChI=1S/C18H27N3O5S/c1-18(2)12-14-4-3-5-15(16(14)26-18)25-11-8-20-17(22)13-6-9-21(10-7-13)27(19,23)24/h3-5,13H,6-12H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyKZMAXDNGGVFCQN-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.81
Rot. Bonds6

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 32600877) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID32600877
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)C3CCN(S(N)(=O)=O)CC3)c2O1
InChIInChI=1S/C18H27N3O5S/c1-18(2)12-14-4-3-5-15(16(14)26-18)25-11-8-20-17(22)13-6-9-21(10-7-13)27(19,23)24/h3-5,13H,6-12H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyKZMAXDNGGVFCQN-UHFFFAOYSA-N
XLogP0.81
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide
CID 55719041
(3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 51938312
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55791758
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(3-sulfamoylphenyl)urea
CID 38234241
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46575837
(3S)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51938314
N-[2-(2,4-dimethylphenoxy)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39944100
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55761073
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55614868

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide (CID 32600877) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide is CC1(C)Cc2cccc(OCCNC(=O)C3CCN(S(N)(=O)=O)CC3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is KZMAXDNGGVFCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-18(2)12-14-4-3-5-15(16(14)26-18)25-11-8-20-17(22)13-6-9-21(10-7-13)27(19,23)24/h3-5,13H,6-12H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 32600877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).