4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide

C17H25N3O3S — CID 120590934

IUPAC4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C
InChIInChI=1S/C17H25N3O3S/c1-12-9-13(17(22)20-5-7-24-8-6-20)3-4-15(12)19-16(21)10-14(11-18)23-2/h3-4,9,14H,5-8,10-11,18H2,1-2H3,(H,19,21)
InChIKeyGRFDUKMITAXWMZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.49
Rot. Bonds6

About 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide

4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide (PubChem CID 120590934) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
PubChem CID120590934
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C
InChIInChI=1S/C17H25N3O3S/c1-12-9-13(17(22)20-5-7-24-8-6-20)3-4-15(12)19-16(21)10-14(11-18)23-2/h3-4,9,14H,5-8,10-11,18H2,1-2H3,(H,19,21)
InChIKeyGRFDUKMITAXWMZ-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
CID 120592838
2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
CID 119761404
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 51132350
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120594111
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide (CID 120590934) is 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide is COC(CN)CC(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C.
What is the InChIKey of 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is GRFDUKMITAXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-9-13(17(22)20-5-7-24-8-6-20)3-4-15(12)19-16(21)10-14(11-18)23-2/h3-4,9,14H,5-8,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide?
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 351.47 g/mol, XLogP of 1.49, 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-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 120590934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).