(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide

C16H25N3O3S — CID 94116515

IUPAC(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)N[C@H](C)CN1CCOCC1)c1cccs1
InChIInChI=1S/C16H25N3O3S/c1-12(11-19-5-7-22-8-6-19)17-16(21)10-14(18-13(2)20)15-4-3-9-23-15/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,17,21)(H,18,20)/t12-,14+/m1/s1
InChIKeyFXFOOJVNEJMGJO-OCCSQVGLSA-N
MW339.46 g/mol
LogP1.15
Rot. Bonds7

About (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide

(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 94116515) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID94116515
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)N[C@H](C)CN1CCOCC1)c1cccs1
InChIInChI=1S/C16H25N3O3S/c1-12(11-19-5-7-22-8-6-19)17-16(21)10-14(18-13(2)20)15-4-3-9-23-15/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,17,21)(H,18,20)/t12-,14+/m1/s1
InChIKeyFXFOOJVNEJMGJO-OCCSQVGLSA-N
XLogP1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116517
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 124839099
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide
CID 51476944
(2S)-2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107821614
2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 55723135
2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide (CID 94116515) is (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide is CC(=O)N[C@@H](CC(=O)N[C@H](C)CN1CCOCC1)c1cccs1.
What is the InChIKey of (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is FXFOOJVNEJMGJO-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(11-19-5-7-22-8-6-19)17-16(21)10-14(18-13(2)20)15-4-3-9-23-15/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,17,21)(H,18,20)/t12-,14+/m1/s1.
What are the key properties of (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide?
(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 94116515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).