(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

C19H22FN3O4S — CID 24543911

IUPAC(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H22FN3O4S/c1-3-14-8-4-6-10-16(14)22-18(24)12-21-19(25)13(2)23-28(26,27)17-11-7-5-9-15(17)20/h4-11,13,23H,3,12H2,1-2H3,(H,21,25)(H,22,24)/t13-/m0/s1
InChIKeySRRSQJWRXHFXKT-ZDUSSCGKSA-N
MW407.47 g/mol
LogP1.81
Rot. Bonds8

About (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 24543911) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID24543911
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H22FN3O4S/c1-3-14-8-4-6-10-16(14)22-18(24)12-21-19(25)13(2)23-28(26,27)17-11-7-5-9-15(17)20/h4-11,13,23H,3,12H2,1-2H3,(H,21,25)(H,22,24)/t13-/m0/s1
InChIKeySRRSQJWRXHFXKT-ZDUSSCGKSA-N
XLogP1.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55959790
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 25484811
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-ethylphenyl)propanamide
CID 124550207
N-[(2S)-1-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55937799
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 32777538
[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849421

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (CID 24543911) is (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is CCc1ccccc1NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is SRRSQJWRXHFXKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-3-14-8-4-6-10-16(14)22-18(24)12-21-19(25)13(2)23-28(26,27)17-11-7-5-9-15(17)20/h4-11,13,23H,3,12H2,1-2H3,(H,21,25)(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 407.47 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24543911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).