2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C23H29FN4O4S — CID 4969285

IUPAC2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29FN4O4S/c1-2-27(16-22(29)25-15-18-5-7-19(24)8-6-18)17-23(30)26-20-9-11-21(12-10-20)33(31,32)28-13-3-4-14-28/h5-12H,2-4,13-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyVRWQJCYLQANJED-UHFFFAOYSA-N
MW476.57 g/mol
LogP2.19
Rot. Bonds10

About 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4969285) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4969285
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC Name2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29FN4O4S/c1-2-27(16-22(29)25-15-18-5-7-19(24)8-6-18)17-23(30)26-20-9-11-21(12-10-20)33(31,32)28-13-3-4-14-28/h5-12H,2-4,13-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyVRWQJCYLQANJED-UHFFFAOYSA-N
XLogP2.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

USP30 inhibitor 18
CID 142474792
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10416037
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(2-fluorophenyl)methyl]anilino]acetamide
CID 513429
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(4-fluorophenyl)methyl]anilino]acetamide
CID 513430
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(3-fluorophenyl)methyl]anilino]acetamide
CID 513431
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4969285) is 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VRWQJCYLQANJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-2-27(16-22(29)25-15-18-5-7-19(24)8-6-18)17-23(30)26-20-9-11-21(12-10-20)33(31,32)28-13-3-4-14-28/h5-12H,2-4,13-17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 476.57 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4969285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).