N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O3S2 — CID 2329280

IUPACN-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-11-8-15-5-2-1-3-6-15)16-9-12-20(13-10-16)25(22,23)17-7-4-14-24-17/h1-7,14,16H,8-13H2,(H,19,21)
InChIKeyFXNHIHKKVRYEFR-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.51
Rot. Bonds6

About N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2329280) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2329280
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-11-8-15-5-2-1-3-6-15)16-9-12-20(13-10-16)25(22,23)17-7-4-14-24-17/h1-7,14,16H,8-13H2,(H,19,21)
InChIKeyFXNHIHKKVRYEFR-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
N-(thien-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3243911
N-[2-(4-Methylphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4089362
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-[2-(2-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9551080
N-(2-phenylethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15997729
N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2329280) is N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is FXNHIHKKVRYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-18(19-11-8-15-5-2-1-3-6-15)16-9-12-20(13-10-16)25(22,23)17-7-4-14-24-17/h1-7,14,16H,8-13H2,(H,19,21).
What are the key properties of N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2329280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).