N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride

C19H23ClFN3O2S — CID 119529197

IUPACN-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C19H22FN3O2S.ClH/c1-13(19(25)22-11-17(21)14-5-3-2-4-6-14)26-12-18(24)23-16-9-7-15(20)8-10-16;/h2-10,13,17H,11-12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeySRZRTFUTGQMDJP-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.12
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride (PubChem CID 119529197) has the molecular formula C19H23ClFN3O2S and a molecular weight of 411.93 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
PubChem CID119529197
Molecular FormulaC19H23ClFN3O2S
Molecular Weight411.93 g/mol
Exact Mass411.12
IUPAC NameN-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C19H22FN3O2S.ClH/c1-13(19(25)22-11-17(21)14-5-3-2-4-6-14)26-12-18(24)23-16-9-7-15(20)8-10-16;/h2-10,13,17H,11-12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeySRZRTFUTGQMDJP-UHFFFAOYSA-N
XLogP3.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 55336212
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]acetic acid
CID 119171529
4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]butanoic acid
CID 82032997
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 51157929
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 51151937
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
(2S)-N-(4-bromophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730383
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119527961
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 51638086
(2R)-N-[(4-chlorophenyl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8008968
(2S)-N-(4-tert-butylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8779811

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride (CID 119529197) is N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride is CC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride?
The InChIKey is SRZRTFUTGQMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S.ClH/c1-13(19(25)22-11-17(21)14-5-3-2-4-6-14)26-12-18(24)23-16-9-7-15(20)8-10-16;/h2-10,13,17H,11-12,21H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119529197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).