2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C21H26N2O4S — CID 41484524

IUPAC2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C
InChIInChI=1S/C21H26N2O4S/c1-16-6-7-17(14-20(16)27-2)15-21(24)22-18-8-10-19(11-9-18)28(25,26)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyTVGIFCZGVFTWQN-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.36
Rot. Bonds6

About 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 41484524) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID41484524
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C
InChIInChI=1S/C21H26N2O4S/c1-16-6-7-17(14-20(16)27-2)15-21(24)22-18-8-10-19(11-9-18)28(25,26)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyTVGIFCZGVFTWQN-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-diethoxyphenyl)acetamide
CID 1013771
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
2-(3,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425143
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 108807479
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55566421
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108807471
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 41484524) is 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is COc1cc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is TVGIFCZGVFTWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-6-7-17(14-20(16)27-2)15-21(24)22-18-8-10-19(11-9-18)28(25,26)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 41484524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).