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

C28H32N4O4S — CID 126334954

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H32N4O4S/c1-2-36-26-13-15-27(16-14-26)37(34,35)32(25-11-7-4-8-12-25)22-28(33)30-29-24-17-19-31(20-18-24)21-23-9-5-3-6-10-23/h3-16H,2,17-22H2,1H3,(H,30,33)
InChIKeyAXPXSDUXAPBBLQ-UHFFFAOYSA-N
MW520.66 g/mol
LogP4.05
Rot. Bonds10

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

N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (PubChem CID 126334954) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
PubChem CID126334954
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H32N4O4S/c1-2-36-26-13-15-27(16-14-26)37(34,35)32(25-11-7-4-8-12-25)22-28(33)30-29-24-17-19-31(20-18-24)21-23-9-5-3-6-10-23/h3-16H,2,17-22H2,1H3,(H,30,33)
InChIKeyAXPXSDUXAPBBLQ-UHFFFAOYSA-N
XLogP4.05
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126340370
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126355708
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126353417
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 3406489
N-(cyclooctylideneamino)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1103816
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)acetamide
CID 126344496
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28589719
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
4-[[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 3836684
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185344
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 1021048

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (CID 126334954) is N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is CCOc1ccc(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-ethoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is AXPXSDUXAPBBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-2-36-26-13-15-27(16-14-26)37(34,35)32(25-11-7-4-8-12-25)22-28(33)30-29-24-17-19-31(20-18-24)21-23-9-5-3-6-10-23/h3-16H,2,17-22H2,1H3,(H,30,33).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 520.66 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126334954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).