N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide

C18H18N2O3S2 — CID 90553986

IUPACN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide
SMILESO=C1CCCCN1c1ccc(C#CCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O3S2/c21-17-6-1-2-13-20(17)16-10-8-15(9-11-16)5-3-12-19-25(22,23)18-7-4-14-24-18/h4,7-11,14,19H,1-2,6,12-13H2
InChIKeyBCOHLRUOMINPLZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.60
Rot. Bonds4

About N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide (PubChem CID 90553986) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide
PubChem CID90553986
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide
SMILESO=C1CCCCN1c1ccc(C#CCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O3S2/c21-17-6-1-2-13-20(17)16-10-8-15(9-11-16)5-3-12-19-25(22,23)18-7-4-14-24-18/h4,7-11,14,19H,1-2,6,12-13H2
InChIKeyBCOHLRUOMINPLZ-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553974
5-ethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide
CID 90554008
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propane-2-sulfonamide
CID 90554024
3,4-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553993
2-nitro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553994
4-methoxy-3-methyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553985
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
CID 90550972
2,2,2-trifluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551162
2,6-difluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551027
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
CID 90550971
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-3-phenylpropanamide
CID 90551083

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide (CID 90553986) is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide is O=C1CCCCN1c1ccc(C#CCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide?
The InChIKey is BCOHLRUOMINPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c21-17-6-1-2-13-20(17)16-10-8-15(9-11-16)5-3-12-19-25(22,23)18-7-4-14-24-18/h4,7-11,14,19H,1-2,6,12-13H2.
What are the key properties of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide?
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90553986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).