3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide

C20H25FN4O4S — CID 55483038

IUPAC3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H25FN4O4S/c1-2-25(14-20(27)23-13-15-6-8-16(21)9-7-15)11-10-19(26)24-17-4-3-5-18(12-17)30(22,28)29/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,27)(H,24,26)(H2,22,28,29)
InChIKeyLLMQZSZJDQYRGV-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.44
Rot. Bonds10

About 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide

3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 55483038) has the molecular formula C20H25FN4O4S and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide
PubChem CID55483038
Molecular FormulaC20H25FN4O4S
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H25FN4O4S/c1-2-25(14-20(27)23-13-15-6-8-16(21)9-7-15)11-10-19(26)24-17-4-3-5-18(12-17)30(22,28)29/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,27)(H,24,26)(H2,22,28,29)
InChIKeyLLMQZSZJDQYRGV-UHFFFAOYSA-N
XLogP1.44
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 39895252
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
2-[ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201362
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
2-(N-ethyl-2-nitro-4-sulfamoylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 16959542
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 86910871
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
CID 101102313

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide (CID 55483038) is 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide is CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is LLMQZSZJDQYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4S/c1-2-25(14-20(27)23-13-15-6-8-16(21)9-7-15)11-10-19(26)24-17-4-3-5-18(12-17)30(22,28)29/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,27)(H,24,26)(H2,22,28,29).
What are the key properties of 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide?
3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 436.51 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55483038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).