N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide

C26H35N3O4S — CID 55840123

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCCC1c1ccccc1C
InChIInChI=1S/C26H35N3O4S/c1-3-33-25-14-13-21(34(31,32)29-16-7-4-8-17-29)18-23(25)27-26(30)19-28-15-9-12-24(28)22-11-6-5-10-20(22)2/h5-6,10-11,13-14,18,24H,3-4,7-9,12,15-17,19H2,1-2H3,(H,27,30)
InChIKeyNETLQXSLENGYAX-UHFFFAOYSA-N
MW485.65 g/mol
LogP4.34
Rot. Bonds8

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 55840123) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
PubChem CID55840123
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCCC1c1ccccc1C
InChIInChI=1S/C26H35N3O4S/c1-3-33-25-14-13-21(34(31,32)29-16-7-4-8-17-29)18-23(25)27-26(30)19-28-15-9-12-24(28)22-11-6-5-10-20(22)2/h5-6,10-11,13-14,18,24H,3-4,7-9,12,15-17,19H2,1-2H3,(H,27,30)
InChIKeyNETLQXSLENGYAX-UHFFFAOYSA-N
XLogP4.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931297
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 41259886
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227
1-(cyclopropanecarbonyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630754

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide (CID 55840123) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCCC1c1ccccc1C.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is NETLQXSLENGYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-3-33-25-14-13-21(34(31,32)29-16-7-4-8-17-29)18-23(25)27-26(30)19-28-15-9-12-24(28)22-11-6-5-10-20(22)2/h5-6,10-11,13-14,18,24H,3-4,7-9,12,15-17,19H2,1-2H3,(H,27,30).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 485.65 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55840123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).