3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide

C21H24ClN3O5S — CID 17488443

IUPAC3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24ClN3O5S/c1-2-30-18-9-8-17(13-19(18)31(28,29)25-10-3-4-11-25)24-20(26)14-23-21(27)15-6-5-7-16(22)12-15/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyOWDVJTRSXJFSHL-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.89
Rot. Bonds8

About 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide

3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide (PubChem CID 17488443) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
PubChem CID17488443
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24ClN3O5S/c1-2-30-18-9-8-17(13-19(18)31(28,29)25-10-3-4-11-25)24-20(26)14-23-21(27)15-6-5-7-16(22)12-15/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyOWDVJTRSXJFSHL-UHFFFAOYSA-N
XLogP2.89
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
tert-butyl N-[3-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]carbamate
CID 31361726
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 46510558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide (CID 17488443) is 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide is CCOc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
The InChIKey is OWDVJTRSXJFSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-2-30-18-9-8-17(13-19(18)31(28,29)25-10-3-4-11-25)24-20(26)14-23-21(27)15-6-5-7-16(22)12-15/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide has a molecular weight of 465.96 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 17488443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).