N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide

C17H19FN4O3S — CID 95718308

IUPACN-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)c1cnc(-c2cccs2)nc1)NCCF
InChIInChI=1S/C17H19FN4O3S/c18-3-4-19-15(23)8-13-11-25-6-5-22(13)17(24)12-9-20-16(21-10-12)14-2-1-7-26-14/h1-2,7,9-10,13H,3-6,8,11H2,(H,19,23)/t13-/m1/s1
InChIKeyJYBZEESJELEOBA-CYBMUJFWSA-N
MW378.43 g/mol
LogP1.52
Rot. Bonds6

About N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide

N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide (PubChem CID 95718308) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide
PubChem CID95718308
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC NameN-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)c1cnc(-c2cccs2)nc1)NCCF
InChIInChI=1S/C17H19FN4O3S/c18-3-4-19-15(23)8-13-11-25-6-5-22(13)17(24)12-9-20-16(21-10-12)14-2-1-7-26-14/h1-2,7,9-10,13H,3-6,8,11H2,(H,19,23)/t13-/m1/s1
InChIKeyJYBZEESJELEOBA-CYBMUJFWSA-N
XLogP1.52
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-4-(4-methylsulfanylbenzoyl)morpholin-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 95710601
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-[2-(3-cyano-2-methylindol-1-yl)acetyl]morpholin-3-yl]-N-(2-fluoroethyl)acetamide
CID 56881773
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
N-(3-ethoxyphenyl)-2-[4-(thiophene-2-carbonyl)morpholin-3-yl]acetamide
CID 56908629
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide
CID 95891518
2-[(3R)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide
CID 95895495
(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 95867579
2-[4-[4-[(3-methylthiophen-2-yl)methylamino]benzoyl]morpholin-3-yl]acetic acid
CID 50953738
2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 95975192
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide?
The IUPAC name of N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide (CID 95718308) is N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide?
The canonical SMILES for N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide is O=C(C[C@@H]1COCCN1C(=O)c1cnc(-c2cccs2)nc1)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide?
The InChIKey is JYBZEESJELEOBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c18-3-4-19-15(23)8-13-11-25-6-5-22(13)17(24)12-9-20-16(21-10-12)14-2-1-7-26-14/h1-2,7,9-10,13H,3-6,8,11H2,(H,19,23)/t13-/m1/s1.
What are the key properties of N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide?
N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-[(3R)-4-(2-thiophen-2-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetamide is sourced from PubChem (CID 95718308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).