(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide

C17H16FN3O2S — CID 96528885

IUPAC(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccsc1
InChIInChI=1S/C17H16FN3O2S/c1-10(22)20-16(17(23)21-13-4-5-24-9-13)6-11-8-19-15-7-12(18)2-3-14(11)15/h2-5,7-9,16,19H,6H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyZXZPOBCXRGJVDH-INIZCTEOSA-N
MW345.40 g/mol
LogP3.05
Rot. Bonds5

About (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide

(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide (PubChem CID 96528885) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
PubChem CID96528885
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccsc1
InChIInChI=1S/C17H16FN3O2S/c1-10(22)20-16(17(23)21-13-4-5-24-9-13)6-11-8-19-15-7-12(18)2-3-14(11)15/h2-5,7-9,16,19H,6H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyZXZPOBCXRGJVDH-INIZCTEOSA-N
XLogP3.05
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide
CID 96528886
methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate
CID 75424604
2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
CID 138043634
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-(tert-butylamino)-1-(6-fluoro-1H-indol-3-yl)-4,4-dimethylpentan-3-one
CID 171439337
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074
methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate
CID 120991876
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide?
The IUPAC name of (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide (CID 96528885) is (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide?
The canonical SMILES for (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide is CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccsc1.
What is the InChIKey of (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide?
The InChIKey is ZXZPOBCXRGJVDH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10(22)20-16(17(23)21-13-4-5-24-9-13)6-11-8-19-15-7-12(18)2-3-14(11)15/h2-5,7-9,16,19H,6H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide?
(2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)-N-thiophen-3-ylpropanamide is sourced from PubChem (CID 96528885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).