(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide

C19H22FN3O3S — CID 95867579

IUPAC(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)C[C@@H]2COCCN2C(=O)NCc2cccs2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-4-5-14(9-17(13)20)22-18(24)10-15-12-26-7-6-23(15)19(25)21-11-16-3-2-8-27-16/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyXCFMXVVWQQZLNP-OAHLLOKOSA-N
MW391.47 g/mol
LogP3.13
Rot. Bonds5

About (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide

(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide (PubChem CID 95867579) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
PubChem CID95867579
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)C[C@@H]2COCCN2C(=O)NCc2cccs2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-4-5-14(9-17(13)20)22-18(24)10-15-12-26-7-6-23(15)19(25)21-11-16-3-2-8-27-16/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyXCFMXVVWQQZLNP-OAHLLOKOSA-N
XLogP3.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide (CID 95867579) is (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide is Cc1ccc(NC(=O)C[C@@H]2COCCN2C(=O)NCc2cccs2)cc1F.
What is the InChIKey of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The InChIKey is XCFMXVVWQQZLNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-4-5-14(9-17(13)20)22-18(24)10-15-12-26-7-6-23(15)19(25)21-11-16-3-2-8-27-16/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 95867579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).