N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

C27H30N4O3S — CID 126340370

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O3S/c1-22-12-14-26(15-13-22)35(33,34)31(25-10-6-3-7-11-25)21-27(32)29-28-24-16-18-30(19-17-24)20-23-8-4-2-5-9-23/h2-15H,16-21H2,1H3,(H,29,32)
InChIKeyWHOSAEITUIMYNJ-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.96
Rot. Bonds8

About N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126340370) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126340370
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O3S/c1-22-12-14-26(15-13-22)35(33,34)31(25-10-6-3-7-11-25)21-27(32)29-28-24-16-18-30(19-17-24)20-23-8-4-2-5-9-23/h2-15H,16-21H2,1H3,(H,29,32)
InChIKeyWHOSAEITUIMYNJ-UHFFFAOYSA-N
XLogP3.96
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide 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-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126355708
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126334954
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126353417
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 1021048
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)acetamide
CID 126344496
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126336951
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
CID 1370011
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(1-benzylpiperidin-4-ylidene)amino]acetamide
CID 126349041
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3442298

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126340370) is N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is WHOSAEITUIMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-22-12-14-26(15-13-22)35(33,34)31(25-10-6-3-7-11-25)21-27(32)29-28-24-16-18-30(19-17-24)20-23-8-4-2-5-9-23/h2-15H,16-21H2,1H3,(H,29,32).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 490.63 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126340370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).