3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide

C22H28N4O3S — CID 60549464

IUPAC3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
SMILESCN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C22H28N4O3S/c1-25(2)19-11-7-9-17(15-19)22(27)23-18-10-8-12-20(16-18)30(28,29)24-21-13-5-4-6-14-26(21)3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,23,27)/b24-21-
InChIKeyIIQZUQVICZJRKL-FLFQWRMESA-N
MW428.56 g/mol
LogP3.60
Rot. Bonds5

About 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide

3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide (PubChem CID 60549464) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
PubChem CID60549464
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
SMILESCN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C22H28N4O3S/c1-25(2)19-11-7-9-17(15-19)22(27)23-18-10-8-12-20(16-18)30(28,29)24-21-13-5-4-6-14-26(21)3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,23,27)/b24-21-
InChIKeyIIQZUQVICZJRKL-FLFQWRMESA-N
XLogP3.60
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-methylsulfonylbenzamide
CID 51957722
N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55919935
2-(N-methylanilino)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60530575
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-propan-2-ylbenzamide
CID 55881637
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]thiadiazole-5-carboxamide
CID 55920328
2-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 60549421
4-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-2-carboxamide
CID 55810712
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55992179
N-methyl-4-[3-[3-[(1-methylazepan-2-ylidene)amino]sulfonylanilino]-3-oxoprop-1-enyl]benzamide
CID 55813443
N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
CID 76867418
4-(cyclopropylcarbamoylamino)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 55880367

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide (CID 60549464) is 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide is CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide?
The InChIKey is IIQZUQVICZJRKL-FLFQWRMESA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-25(2)19-11-7-9-17(15-19)22(27)23-18-10-8-12-20(16-18)30(28,29)24-21-13-5-4-6-14-26(21)3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,23,27)/b24-21-.
What are the key properties of 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide?
3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide has a molecular weight of 428.56 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide is sourced from PubChem (CID 60549464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).