N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide

C26H35N3O5S — CID 4047705

IUPACN,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
SMILESCc1ccc(NC(=O)COc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C26H35N3O5S/c1-19-9-10-20(17-23(19)35(32,33)29-15-7-6-8-16-29)27-24(30)18-34-22-13-11-21(12-14-22)28(5)25(31)26(2,3)4/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,27,30)
InChIKeyUBSUQIFFPXDCFF-UHFFFAOYSA-N
MW501.65 g/mol
LogP4.20
Rot. Bonds7

About N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide

N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide (PubChem CID 4047705) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
PubChem CID4047705
Molecular FormulaC26H35N3O5S
Molecular Weight501.65 g/mol
Exact Mass501.23
IUPAC NameN,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
SMILESCc1ccc(NC(=O)COc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C26H35N3O5S/c1-19-9-10-20(17-23(19)35(32,33)29-15-7-6-8-16-29)27-24(30)18-34-22-13-11-21(12-14-22)28(5)25(31)26(2,3)4/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,27,30)
InChIKeyUBSUQIFFPXDCFF-UHFFFAOYSA-N
XLogP4.20
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 55358975
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5195219
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7763032
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139
[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 26984401
[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4876007

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide (CID 4047705) is N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide is Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide?
The InChIKey is UBSUQIFFPXDCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5S/c1-19-9-10-20(17-23(19)35(32,33)29-15-7-6-8-16-29)27-24(30)18-34-22-13-11-21(12-14-22)28(5)25(31)26(2,3)4/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,27,30).
What are the key properties of N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide?
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 501.65 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 4047705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).