N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide

C19H23N3O4S — CID 55747377

IUPACN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-10-22-27(24,25)17-7-5-6-16(11-17)19(23)21-13-15-8-9-18(20-12-15)26-14(2)3/h4-9,11-12,14,22H,1,10,13H2,2-3H3,(H,21,23)
InChIKeyPXIITZMLTSRBKT-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.26
Rot. Bonds9

About N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55747377) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55747377
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-10-22-27(24,25)17-7-5-6-16(11-17)19(23)21-13-15-8-9-18(20-12-15)26-14(2)3/h4-9,11-12,14,22H,1,10,13H2,2-3H3,(H,21,23)
InChIKeyPXIITZMLTSRBKT-UHFFFAOYSA-N
XLogP2.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylsulfamoyl)-2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747623
3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744605
3-(prop-2-enylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712157
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987349
N-[[3-(butanoylamino)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55844311
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55847190
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880

Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 55747377) is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC(C)C)nc2)c1.
What is the InChIKey of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is PXIITZMLTSRBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-10-22-27(24,25)17-7-5-6-16(11-17)19(23)21-13-15-8-9-18(20-12-15)26-14(2)3/h4-9,11-12,14,22H,1,10,13H2,2-3H3,(H,21,23).
What are the key properties of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55747377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).