4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide

C21H29N3O3S — CID 38010084

IUPAC4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)16-18-8-10-19(11-9-18)21(25)22-14-15-23-28(26,27)20-12-6-17(3)7-13-20/h6-13,23H,4-5,14-16H2,1-3H3,(H,22,25)
InChIKeySIJMNSBTPBEMTJ-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.55
Rot. Bonds10

About 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide

4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 38010084) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID38010084
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)16-18-8-10-19(11-9-18)21(25)22-14-15-23-28(26,27)20-12-6-17(3)7-13-20/h6-13,23H,4-5,14-16H2,1-3H3,(H,22,25)
InChIKeySIJMNSBTPBEMTJ-UHFFFAOYSA-N
XLogP2.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.55
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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Related Compounds

4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 100785424
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 3342390
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
CID 44665683
4-(2-cyanoethylsulfamoyl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylbenzamide
CID 48532822
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide (CID 38010084) is 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide is CCN(CC)Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is SIJMNSBTPBEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-24(5-2)16-18-8-10-19(11-9-18)21(25)22-14-15-23-28(26,27)20-12-6-17(3)7-13-20/h6-13,23H,4-5,14-16H2,1-3H3,(H,22,25).
What are the key properties of 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 403.55 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 38010084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).