2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

C22H27ClN4O4S — CID 5145133

IUPAC2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H27ClN4O4S/c1-16-4-7-19(8-5-16)32(29,30)27(20-14-17(23)6-9-21(20)31-3)15-22(28)25-24-18-10-12-26(2)13-11-18/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)
InChIKeySPCSNKIXQIQDAK-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.05
Rot. Bonds7

About 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 5145133) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID5145133
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H27ClN4O4S/c1-16-4-7-19(8-5-16)32(29,30)27(20-14-17(23)6-9-21(20)31-3)15-22(28)25-24-18-10-12-26(2)13-11-18/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)
InChIKeySPCSNKIXQIQDAK-UHFFFAOYSA-N
XLogP3.05
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.05
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

2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3442298
N-(cyclododecylideneamino)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589335
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 1021048
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126342579
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126353417
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126260091
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133188649
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125062930
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 5145133) is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is SPCSNKIXQIQDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c1-16-4-7-19(8-5-16)32(29,30)27(20-14-17(23)6-9-21(20)31-3)15-22(28)25-24-18-10-12-26(2)13-11-18/h4-9,14H,10-13,15H2,1-3H3,(H,25,28).
What are the key properties of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 479.00 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 5145133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).