N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide

C22H29N3O3S — CID 7939475

IUPACN-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-18-8-10-19(11-9-18)24-22(26)16-23-21-15-20(12-7-17(21)2)29(27,28)25-13-5-4-6-14-25/h7-12,15,23H,3-6,13-14,16H2,1-2H3,(H,24,26)
InChIKeyHRNIXEDPYRXDIX-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.78
Rot. Bonds7

About N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide

N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 7939475) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID7939475
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-18-8-10-19(11-9-18)24-22(26)16-23-21-15-20(12-7-17(21)2)29(27,28)25-13-5-4-6-14-25/h7-12,15,23H,3-6,13-14,16H2,1-2H3,(H,24,26)
InChIKeyHRNIXEDPYRXDIX-UHFFFAOYSA-N
XLogP3.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55365291
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (CID 7939475) is N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is CCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is HRNIXEDPYRXDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-18-8-10-19(11-9-18)24-22(26)16-23-21-15-20(12-7-17(21)2)29(27,28)25-13-5-4-6-14-25/h7-12,15,23H,3-6,13-14,16H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 7939475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).