2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H31N3O3S — CID 8907976

IUPAC2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-3-19-7-9-20(10-8-19)17-25(2)18-23(27)24-21-11-13-22(14-12-21)30(28,29)26-15-5-4-6-16-26/h7-14H,3-6,15-18H2,1-2H3,(H,24,27)
InChIKeyQMHWVQHONBKMKC-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.49
Rot. Bonds8

About 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8907976) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID8907976
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-3-19-7-9-20(10-8-19)17-25(2)18-23(27)24-21-11-13-22(14-12-21)30(28,29)26-15-5-4-6-16-26/h7-14H,3-6,15-18H2,1-2H3,(H,24,27)
InChIKeyQMHWVQHONBKMKC-UHFFFAOYSA-N
XLogP3.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698720
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9045319
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8857827
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818859
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8862919
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 108806921
N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide
CID 9432967

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 8907976) is 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is CCc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QMHWVQHONBKMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-19-7-9-20(10-8-19)17-25(2)18-23(27)24-21-11-13-22(14-12-21)30(28,29)26-15-5-4-6-16-26/h7-14H,3-6,15-18H2,1-2H3,(H,24,27).
What are the key properties of 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8907976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).