2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

C23H31N3O3S — CID 99971076

IUPAC2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H31N3O3S/c1-17-5-9-22(10-6-17)30(28,29)26(21-8-7-18(2)19(3)15-21)16-23(27)24-20-11-13-25(4)14-12-20/h5-10,15,20H,11-14,16H2,1-4H3,(H,24,27)
InChIKeyRWNQOFKNYFXICM-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.02
Rot. Bonds6

About 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99971076) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID99971076
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H31N3O3S/c1-17-5-9-22(10-6-17)30(28,29)26(21-8-7-18(2)19(3)15-21)16-23(27)24-20-11-13-25(4)14-12-20/h5-10,15,20H,11-14,16H2,1-4H3,(H,24,27)
InChIKeyRWNQOFKNYFXICM-UHFFFAOYSA-N
XLogP3.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.02
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-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946578
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 2198538
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 30172800
N-cyclopentyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1120603
N-cyclopropyl-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24776179
N-cyclopropyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344423
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-cyclopentyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372290
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (CID 99971076) is 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is RWNQOFKNYFXICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17-5-9-22(10-6-17)30(28,29)26(21-8-7-18(2)19(3)15-21)16-23(27)24-20-11-13-25(4)14-12-20/h5-10,15,20H,11-14,16H2,1-4H3,(H,24,27).
What are the key properties of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99971076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).