5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide

C18H22ClN2O2S+ — CID 9144528

IUPAC5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-13-2-4-14(5-3-13)15(12-21-8-10-23-11-9-21)20-18(22)16-6-7-17(19)24-16/h2-7,15H,8-12H2,1H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyQXEYCRVXPMXMEE-HNNXBMFYSA-O
MW365.91 g/mol
LogP2.10
Rot. Bonds5

About 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide

5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide (PubChem CID 9144528) has the molecular formula C18H22ClN2O2S+ and a molecular weight of 365.91 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide
PubChem CID9144528
Molecular FormulaC18H22ClN2O2S+
Molecular Weight365.91 g/mol
Exact Mass365.11
IUPAC Name5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-13-2-4-14(5-3-13)15(12-21-8-10-23-11-9-21)20-18(22)16-6-7-17(19)24-16/h2-7,15H,8-12H2,1H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyQXEYCRVXPMXMEE-HNNXBMFYSA-O
XLogP2.10
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
N-[2-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9144588
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea
CID 8563448
2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144432
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea
CID 8563529
(E)-3-(3-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 9144458
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea
CID 8563597
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 9144488
2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9144654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide (CID 9144528) is 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide is Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is QXEYCRVXPMXMEE-HNNXBMFYSA-O. The full InChI is InChI=1S/C18H21ClN2O2S/c1-13-2-4-14(5-3-13)15(12-21-8-10-23-11-9-21)20-18(22)16-6-7-17(19)24-16/h2-7,15H,8-12H2,1H3,(H,20,22)/p+1/t15-/m0/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide?
5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 365.91 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9144528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).