4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride

C16H24ClN3O3S — CID 120590833

IUPAC4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-22-14(11-17)10-15(20)18-13-4-2-3-12(9-13)16(21)19-5-7-23-8-6-19;/h2-4,9,14H,5-8,10-11,17H2,1H3,(H,18,20);1H
InChIKeyLRSIBZSZVCYJKR-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.60
Rot. Bonds6

About 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride (PubChem CID 120590833) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
PubChem CID120590833
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-22-14(11-17)10-15(20)18-13-4-2-3-12(9-13)16(21)19-5-7-23-8-6-19;/h2-4,9,14H,5-8,10-11,17H2,1H3,(H,18,20);1H
InChIKeyLRSIBZSZVCYJKR-UHFFFAOYSA-N
XLogP1.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 119309628
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 120561677
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120590924
methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 120592080
2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119309623
2-[bis(2-methylpropyl)amino]-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 52855772
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
CID 56800512

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride (CID 120590833) is 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride is COC(CN)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride?
The InChIKey is LRSIBZSZVCYJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-22-14(11-17)10-15(20)18-13-4-2-3-12(9-13)16(21)19-5-7-23-8-6-19;/h2-4,9,14H,5-8,10-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120590833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).