N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H22N2O3S2 — CID 5307857

IUPACN-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c1-14(15-7-3-2-4-8-15)19-18(21)16-9-5-11-20(13-16)25(22,23)17-10-6-12-24-17/h2-4,6-8,10,12,14,16H,5,9,11,13H2,1H3,(H,19,21)
InChIKeyMNKNTAZTVDFXAH-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.03
Rot. Bonds5

About N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307857) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307857
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c1-14(15-7-3-2-4-8-15)19-18(21)16-9-5-11-20(13-16)25(22,23)17-10-6-12-24-17/h2-4,6-8,10,12,14,16H,5,9,11,13H2,1H3,(H,19,21)
InChIKeyMNKNTAZTVDFXAH-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
2-{[1-(Thien-2-ylsulfonyl)piperidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3236597
N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
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-phenylethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15997729
1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 16003512

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 5307857) is N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MNKNTAZTVDFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14(15-7-3-2-4-8-15)19-18(21)16-9-5-11-20(13-16)25(22,23)17-10-6-12-24-17/h2-4,6-8,10,12,14,16H,5,9,11,13H2,1H3,(H,19,21).
What are the key properties of N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).