2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

C21H27N3O3S — CID 50946578

IUPAC2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-17-8-10-20(11-9-17)28(26,27)24(19-6-4-3-5-7-19)16-21(25)22-18-12-14-23(2)15-13-18/h3-11,18H,12-16H2,1-2H3,(H,22,25)
InChIKeyPADQGNYZLVMZMF-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.40
Rot. Bonds6

About 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 50946578) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID50946578
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-17-8-10-20(11-9-17)28(26,27)24(19-6-4-3-5-7-19)16-21(25)22-18-12-14-23(2)15-13-18/h3-11,18H,12-16H2,1-2H3,(H,22,25)
InChIKeyPADQGNYZLVMZMF-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 99971075
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 99971076
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967123
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 53280407
N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2982325
N-cyclopropyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344423
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967313
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (CID 50946578) is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is PADQGNYZLVMZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-17-8-10-20(11-9-17)28(26,27)24(19-6-4-3-5-7-19)16-21(25)22-18-12-14-23(2)15-13-18/h3-11,18H,12-16H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 50946578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).