N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide

C20H25N2O3S+ — CID 9148319

IUPACN-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-18(19-7-4-14-26-19)8-9-20(24)21-17(16-5-2-1-3-6-16)15-22-10-12-25-13-11-22/h1-7,14,17H,8-13,15H2,(H,21,24)/p+1/t17-/m0/s1
InChIKeyKVCGEIGRQZWQSM-KRWDZBQOSA-O
MW373.50 g/mol
LogP1.48
Rot. Bonds8

About N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 9148319) has the molecular formula C20H25N2O3S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID9148319
Molecular FormulaC20H25N2O3S+
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-18(19-7-4-14-26-19)8-9-20(24)21-17(16-5-2-1-3-6-16)15-22-10-12-25-13-11-22/h1-7,14,17H,8-13,15H2,(H,21,24)/p+1/t17-/m0/s1
InChIKeyKVCGEIGRQZWQSM-KRWDZBQOSA-O
XLogP1.48
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9144588
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150146
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9149121
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
CID 8844908
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150265
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-sulfanylpropanoic acid
CID 108796380
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-5-phenylpentanoic acid
CID 120690180

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 9148319) is N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is KVCGEIGRQZWQSM-KRWDZBQOSA-O. The full InChI is InChI=1S/C20H24N2O3S/c23-18(19-7-4-14-26-19)8-9-20(24)21-17(16-5-2-1-3-6-16)15-22-10-12-25-13-11-22/h1-7,14,17H,8-13,15H2,(H,21,24)/p+1/t17-/m0/s1.
What are the key properties of N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 373.50 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 9148319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).