ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate

C18H26N2O6S — CID 124640325

IUPACethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O6S/c1-4-26-18(22)14-9-11-20(12-10-14)17(21)13(2)19-27(23,24)16-7-5-15(25-3)6-8-16/h5-8,13-14,19H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRLURPSRRTCMSTM-CYBMUJFWSA-N
MW398.48 g/mol
LogP1.16
Rot. Bonds7

About ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate

ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate (PubChem CID 124640325) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
PubChem CID124640325
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Nameethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O6S/c1-4-26-18(22)14-9-11-20(12-10-14)17(21)13(2)19-27(23,24)16-7-5-15(25-3)6-8-16/h5-8,13-14,19H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRLURPSRRTCMSTM-CYBMUJFWSA-N
XLogP1.16
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 126199408
ethyl 1-[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30142685
ethyl 1-[2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 43888842
4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55938796
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637
ethyl 4-[(2S)-2-[(4-ethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 110348536
ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate
CID 16565684
methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate
CID 3528929
N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 55940304
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate (CID 124640325) is ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
The InChIKey is RLURPSRRTCMSTM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-4-26-18(22)14-9-11-20(12-10-14)17(21)13(2)19-27(23,24)16-7-5-15(25-3)6-8-16/h5-8,13-14,19H,4,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 124640325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).