N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide

C21H28N2O3S — CID 109061417

IUPACN-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-6-7-15-22-27(25,26)20-13-11-18(12-14-20)21(24)23(5-2)19-10-8-9-17(3)16-19/h8-14,16,22H,4-7,15H2,1-3H3
InChIKeyNGFCJNFVZLZUBP-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.13
Rot. Bonds9

About N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide

N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide (PubChem CID 109061417) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide
PubChem CID109061417
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)N(CC)c2cccc(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-6-7-15-22-27(25,26)20-13-11-18(12-14-20)21(24)23(5-2)19-10-8-9-17(3)16-19/h8-14,16,22H,4-7,15H2,1-3H3
InChIKeyNGFCJNFVZLZUBP-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 109061323
4-(cyclopropylsulfamoyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 109058411
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide (CID 109061417) is N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1ccc(C(=O)N(CC)c2cccc(C)c2)cc1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide?
The InChIKey is NGFCJNFVZLZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-6-7-15-22-27(25,26)20-13-11-18(12-14-20)21(24)23(5-2)19-10-8-9-17(3)16-19/h8-14,16,22H,4-7,15H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide?
N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109061417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).