N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide

C20H27N3O5S — CID 2468130

IUPACN-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)ccc1NC(C)=O
InChIInChI=1S/C20H27N3O5S/c1-15(24)22-17-9-8-16(13-20(17)27-2)29(25,26)21-14-18(19-7-6-12-28-19)23-10-4-3-5-11-23/h6-9,12-13,18,21H,3-5,10-11,14H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyZTOSJGBBLGCKEY-GOSISDBHSA-N
MW421.52 g/mol
LogP2.75
Rot. Bonds8

About N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 2468130) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID2468130
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)ccc1NC(C)=O
InChIInChI=1S/C20H27N3O5S/c1-15(24)22-17-9-8-16(13-20(17)27-2)29(25,26)21-14-18(19-7-6-12-28-19)23-10-4-3-5-11-23/h6-9,12-13,18,21H,3-5,10-11,14H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyZTOSJGBBLGCKEY-GOSISDBHSA-N
XLogP2.75
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-4-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]phenyl]acetamide
CID 41014795
methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
CID 47019084
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55347344
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189598
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 86767927
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40774940
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 16830237

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 2468130) is N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is ZTOSJGBBLGCKEY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-15(24)22-17-9-8-16(13-20(17)27-2)29(25,26)21-14-18(19-7-6-12-28-19)23-10-4-3-5-11-23/h6-9,12-13,18,21H,3-5,10-11,14H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 2468130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).