2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide

C19H21N3O5S — CID 7595381

IUPAC2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O5S/c20-19(24)16-12-15(28(25,26)22-10-4-5-11-22)8-9-17(16)27-13-18(23)21-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H2,20,24)(H,21,23)
InChIKeyMBHAEXUQEBHIEQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.59
Rot. Bonds7

About 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide

2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 7595381) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID7595381
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O5S/c20-19(24)16-12-15(28(25,26)22-10-4-5-11-22)8-9-17(16)27-13-18(23)21-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H2,20,24)(H,21,23)
InChIKeyMBHAEXUQEBHIEQ-UHFFFAOYSA-N
XLogP1.59
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
2-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 41029925
2-(2-phenylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 26252662
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1013950
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
(2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
4-[[2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
CID 92647737
2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4810681
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 7595381) is 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide is NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is MBHAEXUQEBHIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c20-19(24)16-12-15(28(25,26)22-10-4-5-11-22)8-9-17(16)27-13-18(23)21-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H2,20,24)(H,21,23).
What are the key properties of 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7595381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).