2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

C21H26N4O3S — CID 1021048

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N4O3S/c1-17-8-10-19(11-9-17)25(29(27,28)20-6-4-3-5-7-20)16-21(26)23-22-18-12-14-24(2)15-13-18/h3-11H,12-16H2,1-2H3,(H,23,26)
InChIKeyYWDHTOCIWZYCJY-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.39
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 1021048) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID1021048
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N4O3S/c1-17-8-10-19(11-9-17)25(29(27,28)20-6-4-3-5-7-20)16-21(26)23-22-18-12-14-24(2)15-13-18/h3-11H,12-16H2,1-2H3,(H,23,26)
InChIKeyYWDHTOCIWZYCJY-UHFFFAOYSA-N
XLogP2.39
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.39
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'}

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Related Compounds

N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126340370
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3442298
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126355708
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
CID 126139179
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126353417
2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 5177317
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 5145133
N-(cyclooctylideneamino)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1103816
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946578
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 1021048) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is YWDHTOCIWZYCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-17-8-10-19(11-9-17)25(29(27,28)20-6-4-3-5-7-20)16-21(26)23-22-18-12-14-24(2)15-13-18/h3-11H,12-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 1021048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).