N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide

C19H24N4O4S — CID 108574896

IUPACN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14(24)22-16-6-10-18(11-7-16)28(26,27)21-13-12-20-19(25)15-4-8-17(9-5-15)23(2)3/h4-11,21H,12-13H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyBHGOMPRGZUCPKM-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.42
Rot. Bonds8

About N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide (PubChem CID 108574896) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
PubChem CID108574896
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14(24)22-16-6-10-18(11-7-16)28(26,27)21-13-12-20-19(25)15-4-8-17(9-5-15)23(2)3/h4-11,21H,12-13H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyBHGOMPRGZUCPKM-UHFFFAOYSA-N
XLogP1.42
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide
CID 108574450
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide
CID 108574692
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 100785424
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574942
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058890
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide (CID 108574896) is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide is CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide?
The InChIKey is BHGOMPRGZUCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14(24)22-16-6-10-18(11-7-16)28(26,27)21-13-12-20-19(25)15-4-8-17(9-5-15)23(2)3/h4-11,21H,12-13H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide?
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide has a molecular weight of 404.49 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 108574896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).