2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride

C13H22ClN3O5S2 — CID 120984439

IUPAC2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.Cl
InChIInChI=1S/C13H21N3O5S2.ClH/c1-20-9-11(14)13(17)15-8-10-2-3-12(22-10)23(18,19)16-4-6-21-7-5-16;/h2-3,11H,4-9,14H2,1H3,(H,15,17);1H
InChIKeyFBRXXFJZHWKMMY-UHFFFAOYSA-N
MW399.92 g/mol
LogP-0.22
Rot. Bonds7

About 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride (PubChem CID 120984439) has the molecular formula C13H22ClN3O5S2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
PubChem CID120984439
Molecular FormulaC13H22ClN3O5S2
Molecular Weight399.92 g/mol
Exact Mass399.07
IUPAC Name2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.Cl
InChIInChI=1S/C13H21N3O5S2.ClH/c1-20-9-11(14)13(17)15-8-10-2-3-12(22-10)23(18,19)16-4-6-21-7-5-16;/h2-3,11H,4-9,14H2,1H3,(H,15,17);1H
InChIKeyFBRXXFJZHWKMMY-UHFFFAOYSA-N
XLogP-0.22
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 55478999
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate
CID 16621838
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-[(1R)-1-phenylethyl]urea
CID 41191153
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
CID 41191116
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
2-methyl-1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111228132
1-(furan-2-ylmethyl)-2-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 119114490

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride (CID 120984439) is 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is FBRXXFJZHWKMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S2.ClH/c1-20-9-11(14)13(17)15-8-10-2-3-12(22-10)23(18,19)16-4-6-21-7-5-16;/h2-3,11H,4-9,14H2,1H3,(H,15,17);1H.
What are the key properties of 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120984439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).