2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide

C30H22FN3O2S2 — CID 18899768

IUPAC2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C30H22FN3O2S2/c31-25-17-8-7-16-24(25)28(35)32-22-14-9-15-23(18-22)38-27(21-12-5-2-6-13-21)29(36)34-30-33-26(19-37-30)20-10-3-1-4-11-20/h1-19,27H,(H,32,35)(H,33,34,36)
InChIKeyIUVREDZWNCQGDW-UHFFFAOYSA-N
MW539.66 g/mol
LogP7.67
Rot. Bonds8

About 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide

2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide (PubChem CID 18899768) has the molecular formula C30H22FN3O2S2 and a molecular weight of 539.66 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
PubChem CID18899768
Molecular FormulaC30H22FN3O2S2
Molecular Weight539.66 g/mol
Exact Mass539.11
IUPAC Name2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C30H22FN3O2S2/c31-25-17-8-7-16-24(25)28(35)32-22-14-9-15-23(18-22)38-27(21-12-5-2-6-13-21)29(36)34-30-33-26(19-37-30)20-10-3-1-4-11-20/h1-19,27H,(H,32,35)(H,33,34,36)
InChIKeyIUVREDZWNCQGDW-UHFFFAOYSA-N
XLogP7.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18913046
4-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899832
4-fluoro-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899845
8-[[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18895530
8-[[3-[2-oxo-1-phenyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18895535
N-[(E)-1-(2-chloro-6-fluorophenyl)-3-oxo-3-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19302057
N-[3-[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 18899712
N-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18900121
8-[[3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18895529
N-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18899185
N-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18900625
3-methoxy-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899631

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide (CID 18899768) is 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide is O=C(Nc1cccc(SC(C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide?
The InChIKey is IUVREDZWNCQGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN3O2S2/c31-25-17-8-7-16-24(25)28(35)32-22-14-9-15-23(18-22)38-27(21-12-5-2-6-13-21)29(36)34-30-33-26(19-37-30)20-10-3-1-4-11-20/h1-19,27H,(H,32,35)(H,33,34,36).
What are the key properties of 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide?
2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide has a molecular weight of 539.66 g/mol, XLogP of 7.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18899768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).