N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide

C18H24N2O5S — CID 97414297

IUPACN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC[C@H](O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H24N2O5S/c1-26(23,24)20-10-7-13(8-11-20)18(22)19-9-6-15(21)17-12-14-4-2-3-5-16(14)25-17/h2-5,12-13,15,21H,6-11H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyDGSPYYUWZOVCIJ-HNNXBMFYSA-N
MW380.47 g/mol
LogP1.64
Rot. Bonds6

About N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 97414297) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID97414297
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC[C@H](O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H24N2O5S/c1-26(23,24)20-10-7-13(8-11-20)18(22)19-9-6-15(21)17-12-14-4-2-3-5-16(14)25-17/h2-5,12-13,15,21H,6-11H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyDGSPYYUWZOVCIJ-HNNXBMFYSA-N
XLogP1.64
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 90524448
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
1-(benzenesulfonyl)-N-[1-(1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 55389739
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(oxan-4-yl)urea
CID 91812855
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 97414306
N-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71804264
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 71804286
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90613388

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 97414297) is N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC[C@H](O)c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DGSPYYUWZOVCIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-26(23,24)20-10-7-13(8-11-20)18(22)19-9-6-15(21)17-12-14-4-2-3-5-16(14)25-17/h2-5,12-13,15,21H,6-11H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 97414297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).