2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide

C16H23N5O4S — CID 86714295

IUPAC2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCCC1COc1cccc(NS(N)(=O)=O)c1C#N
InChIInChI=1S/C16H23N5O4S/c1-2-19-16(22)21-9-4-3-6-12(21)11-25-15-8-5-7-14(13(15)10-17)20-26(18,23)24/h5,7-8,12,20H,2-4,6,9,11H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyKKMRORXTRCDSTF-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.14
Rot. Bonds6

About 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide

2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 86714295) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide
PubChem CID86714295
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCCC1COc1cccc(NS(N)(=O)=O)c1C#N
InChIInChI=1S/C16H23N5O4S/c1-2-19-16(22)21-9-4-3-6-12(21)11-25-15-8-5-7-14(13(15)10-17)20-26(18,23)24/h5,7-8,12,20H,2-4,6,9,11H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyKKMRORXTRCDSTF-UHFFFAOYSA-N
XLogP1.14
TPSA137.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-1-(3-methylbutanoyl)piperidine
CID 90038917
(3R)-3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-1-(3-methylbutanoyl)piperidine
CID 90071394
2-[(1-butanoylpiperidin-2-yl)methoxy]-6-nitrobenzonitrile
CID 90039462
2-amino-6-[[(2S)-1-butanoylpyrrolidin-2-yl]methoxy]benzonitrile
CID 66746002
tert-butyl (2R)-2-[(3-amino-2-cyanophenoxy)methyl]piperidine-1-carboxylate
CID 86714286
2-amino-6-[[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methoxy]benzonitrile
CID 66746408
tert-butyl 2-[(2-cyano-3-nitrophenoxy)methyl]piperidine-1-carboxylate
CID 86714300
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan
CID 66746735
2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene
CID 67399845
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide
CID 73213807

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide (CID 86714295) is 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCCC1COc1cccc(NS(N)(=O)=O)c1C#N.
What is the InChIKey of 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is KKMRORXTRCDSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-2-19-16(22)21-9-4-3-6-12(21)11-25-15-8-5-7-14(13(15)10-17)20-26(18,23)24/h5,7-8,12,20H,2-4,6,9,11H2,1H3,(H,19,22)(H2,18,23,24).
What are the key properties of 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide?
2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 86714295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).