4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide

C22H29N3O4S — CID 4836843

IUPAC4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-3-25(4-2)30(28,29)20-14-12-19(13-15-20)22(27)24-17-21(26)23-16-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-15H,3-4,8,11,16-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDTLPCCKUYHPFDA-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.20
Rot. Bonds11

About 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide

4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide (PubChem CID 4836843) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
PubChem CID4836843
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-3-25(4-2)30(28,29)20-14-12-19(13-15-20)22(27)24-17-21(26)23-16-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-15H,3-4,8,11,16-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDTLPCCKUYHPFDA-UHFFFAOYSA-N
XLogP2.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide (CID 4836843) is 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The InChIKey is DTLPCCKUYHPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-25(4-2)30(28,29)20-14-12-19(13-15-20)22(27)24-17-21(26)23-16-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-15H,3-4,8,11,16-17H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide is sourced from PubChem (CID 4836843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).