1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone

C16H17NO4S — CID 97244002

IUPAC1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
SMILESCc1cscc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1
InChIInChI=1S/C16H17NO4S/c1-11-9-22-10-13(11)16(19)17-4-6-20-8-12(17)7-14(18)15-3-2-5-21-15/h2-3,5,9-10,12H,4,6-8H2,1H3/t12-/m0/s1
InChIKeyHCSDFYVIWPJLKX-LBPRGKRZSA-N
MW319.38 g/mol
LogP2.76
Rot. Bonds4

About 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone

1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone (PubChem CID 97244002) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
PubChem CID97244002
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
SMILESCc1cscc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1
InChIInChI=1S/C16H17NO4S/c1-11-9-22-10-13(11)16(19)17-4-6-20-8-12(17)7-14(18)15-3-2-5-21-15/h2-3,5,9-10,12H,4,6-8H2,1H3/t12-/m0/s1
InChIKeyHCSDFYVIWPJLKX-LBPRGKRZSA-N
XLogP2.76
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
2-[(3S)-4-(3-chloropyridine-4-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244027
1-(furan-2-yl)-2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-3-yl]ethanone
CID 75389850
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone
CID 97244050
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 75389849
1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
CID 97244053
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97059723
2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244048
(2S)-1-[(3R)-3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]-2-(1-methylpyrazol-4-yl)propan-1-one
CID 97244040
2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586170

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone (CID 97244002) is 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone is Cc1cscc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone?
The InChIKey is HCSDFYVIWPJLKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11-9-22-10-13(11)16(19)17-4-6-20-8-12(17)7-14(18)15-3-2-5-21-15/h2-3,5,9-10,12H,4,6-8H2,1H3/t12-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone?
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone has a molecular weight of 319.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 97244002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).