(2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

C24H26FN3O2S — CID 130293255

IUPAC(2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCCOC1c2ccccc2CC1NC(=O)[C@@H](NCc1csc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2S/c1-3-30-23-20-7-5-4-6-17(20)12-21(23)28-24(29)22(16-8-10-18(25)11-9-16)26-13-19-14-31-15(2)27-19/h4-11,14,21-23,26H,3,12-13H2,1-2H3,(H,28,29)/t21?,22-,23?/m0/s1
InChIKeyGFFQCENDQXKZJD-KOENEWCDSA-N
MW439.56 g/mol
LogP4.24
Rot. Bonds8

About (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

(2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (PubChem CID 130293255) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound Name(2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
PubChem CID130293255
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC Name(2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCCOC1c2ccccc2CC1NC(=O)[C@@H](NCc1csc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2S/c1-3-30-23-20-7-5-4-6-17(20)12-21(23)28-24(29)22(16-8-10-18(25)11-9-16)26-13-19-14-31-15(2)27-19/h4-11,14,21-23,26H,3,12-13H2,1-2H3,(H,28,29)/t21?,22-,23?/m0/s1
InChIKeyGFFQCENDQXKZJD-KOENEWCDSA-N
XLogP4.24
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide
CID 130277377
(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 137441244
[(1S,2S)-2-[2-(4-fluorophenyl)butanoylamino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 137441238
(2S)-N-[(1S,2S)-1-(2,2-difluoroethylamino)-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
CID 137441352
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95616855
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 56820909
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110353144
2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride
CID 137441281
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
N-[2-fluoro-1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 166250206
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111108844

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The IUPAC name of (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (CID 130293255) is (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.
What is the SMILES notation for (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The canonical SMILES for (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is CCOC1c2ccccc2CC1NC(=O)[C@@H](NCc1csc(C)n1)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The InChIKey is GFFQCENDQXKZJD-KOENEWCDSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-3-30-23-20-7-5-4-6-17(20)12-21(23)28-24(29)22(16-8-10-18(25)11-9-16)26-13-19-14-31-15(2)27-19/h4-11,14,21-23,26H,3,12-13H2,1-2H3,(H,28,29)/t21?,22-,23?/m0/s1.
What are the key properties of (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
(2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide has a molecular weight of 439.56 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-ethoxy-2,3-dihydro-1H-inden-2-yl)-2-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 130293255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).