3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide

C23H28N4O4S — CID 55903024

IUPAC3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N4O4S/c1-2-13-24-23(29)18-7-6-10-21(16-18)32(30,31)26-20-11-14-27(15-12-20)17-22(28)25-19-8-4-3-5-9-19/h2-10,16,20,26H,1,11-15,17H2,(H,24,29)(H,25,28)
InChIKeyFNSRDOFSAIHBCM-UHFFFAOYSA-N
MW456.57 g/mol
LogP1.98
Rot. Bonds9

About 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide

3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 55903024) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID55903024
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N4O4S/c1-2-13-24-23(29)18-7-6-10-21(16-18)32(30,31)26-20-11-14-27(15-12-20)17-22(28)25-19-8-4-3-5-9-19/h2-10,16,20,26H,1,11-15,17H2,(H,24,29)(H,25,28)
InChIKeyFNSRDOFSAIHBCM-UHFFFAOYSA-N
XLogP1.98
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 24620947
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16589804
3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
CID 142738850
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55879006
2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 51335811
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 51121166
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(methylsulfinylmethyl)benzamide
CID 16613506
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide (CID 55903024) is 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is FNSRDOFSAIHBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-2-13-24-23(29)18-7-6-10-21(16-18)32(30,31)26-20-11-14-27(15-12-20)17-22(28)25-19-8-4-3-5-9-19/h2-10,16,20,26H,1,11-15,17H2,(H,24,29)(H,25,28).
What are the key properties of 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide?
3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 456.57 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 55903024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).