(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone

C17H18ClNO3S — CID 26322636

IUPAC(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1cccc(C[C@H]2CN(C(=O)c3sccc3Cl)CCO2)c1
InChIInChI=1S/C17H18ClNO3S/c1-21-13-4-2-3-12(9-13)10-14-11-19(6-7-22-14)17(20)16-15(18)5-8-23-16/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m0/s1
InChIKeyHCERKCDWASDCHF-AWEZNQCLSA-N
MW351.86 g/mol
LogP3.49
Rot. Bonds4

About (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone

(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 26322636) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
PubChem CID26322636
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1cccc(C[C@H]2CN(C(=O)c3sccc3Cl)CCO2)c1
InChIInChI=1S/C17H18ClNO3S/c1-21-13-4-2-3-12(9-13)10-14-11-19(6-7-22-14)17(20)16-15(18)5-8-23-16/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m0/s1
InChIKeyHCERKCDWASDCHF-AWEZNQCLSA-N
XLogP3.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide
CID 45204776
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 45251144
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124993426

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone (CID 26322636) is (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone is COc1cccc(C[C@H]2CN(C(=O)c3sccc3Cl)CCO2)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is HCERKCDWASDCHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-21-13-4-2-3-12(9-13)10-14-11-19(6-7-22-14)17(20)16-15(18)5-8-23-16/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone?
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 351.86 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 26322636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).