ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate

C21H25N3O6S — CID 30582105

IUPACethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O6S/c1-2-29-21(26)23-16-7-5-9-18(13-16)30-15-20(25)22-17-8-6-10-19(14-17)31(27,28)24-11-3-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyGYPTXAHIVOYYLI-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.06
Rot. Bonds8

About ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate

ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate (PubChem CID 30582105) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
PubChem CID30582105
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Nameethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O6S/c1-2-29-21(26)23-16-7-5-9-18(13-16)30-15-20(25)22-17-8-6-10-19(14-17)31(27,28)24-11-3-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyGYPTXAHIVOYYLI-UHFFFAOYSA-N
XLogP3.06
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9415053
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
methyl 2-[4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]acetate
CID 26054421
2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 46816110
N-(3-piperidin-1-ylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7926190
[2-(3-methoxyanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545175
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4810681
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 5059176

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate (CID 30582105) is ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate?
The InChIKey is GYPTXAHIVOYYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-2-29-21(26)23-16-7-5-9-18(13-16)30-15-20(25)22-17-8-6-10-19(14-17)31(27,28)24-11-3-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate?
ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate has a molecular weight of 447.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate is sourced from PubChem (CID 30582105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).