N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

C23H30FN3O2S — CID 55336212

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCN(CC)C(CNC(=O)C(C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H30FN3O2S/c1-4-27(5-2)21(18-9-7-6-8-10-18)15-25-23(29)17(3)30-16-22(28)26-20-13-11-19(24)12-14-20/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyZOSDVGBTCRKBHA-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.09
Rot. Bonds11

About N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 55336212) has the molecular formula C23H30FN3O2S and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID55336212
Molecular FormulaC23H30FN3O2S
Molecular Weight431.58 g/mol
Exact Mass431.20
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCN(CC)C(CNC(=O)C(C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H30FN3O2S/c1-4-27(5-2)21(18-9-7-6-8-10-18)15-25-23(29)17(3)30-16-22(28)26-20-13-11-19(24)12-14-20/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyZOSDVGBTCRKBHA-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119529197
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]acetic acid
CID 119171529
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
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
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 55501499
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(2-fluoro-N-methylanilino)propyl]propanamide
CID 55907635
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
CID 51579414
(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-(diethylamino)-2-phenylethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112764996

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (CID 55336212) is N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is CCN(CC)C(CNC(=O)C(C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is ZOSDVGBTCRKBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2S/c1-4-27(5-2)21(18-9-7-6-8-10-18)15-25-23(29)17(3)30-16-22(28)26-20-13-11-19(24)12-14-20/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 431.58 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 55336212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).