3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

C26H31N3O5S — CID 25331234

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)c2)cc1
InChIInChI=1S/C26H31N3O5S/c1-2-33-22-11-13-23(14-12-22)35(31,32)28-21-9-6-8-20(18-21)26(30)27-19-24(25-10-7-17-34-25)29-15-4-3-5-16-29/h6-14,17-18,24,28H,2-5,15-16,19H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyYZIYZMMRXKDGEG-XMMPIXPASA-N
MW497.62 g/mol
LogP4.44
Rot. Bonds10

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 25331234) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID25331234
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)c2)cc1
InChIInChI=1S/C26H31N3O5S/c1-2-33-22-11-13-23(14-12-22)35(31,32)28-21-9-6-8-20(18-21)26(30)27-19-24(25-10-7-17-34-25)29-15-4-3-5-16-29/h6-14,17-18,24,28H,2-5,15-16,19H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyYZIYZMMRXKDGEG-XMMPIXPASA-N
XLogP4.44
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 93472978
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 9305876
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 45133052
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 25335595
3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 55648424

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 25331234) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is YZIYZMMRXKDGEG-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-2-33-22-11-13-23(14-12-22)35(31,32)28-21-9-6-8-20(18-21)26(30)27-19-24(25-10-7-17-34-25)29-15-4-3-5-16-29/h6-14,17-18,24,28H,2-5,15-16,19H2,1H3,(H,27,30)/t24-/m1/s1.
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 497.62 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 25331234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).