methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate

C20H25N3O4S — CID 110237373

IUPACmethyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1)C(C)C
InChIInChI=1S/C20H25N3O4S/c1-13(2)17(20(25)26-3)22-18(24)16-11-15(14-5-4-6-21-12-14)19(28-16)23-7-9-27-10-8-23/h4-6,11-13,17H,7-10H2,1-3H3,(H,22,24)
InChIKeyHMUCJFQOURYXQX-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.57
Rot. Bonds6

About methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate

methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate (PubChem CID 110237373) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate
PubChem CID110237373
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Namemethyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1)C(C)C
InChIInChI=1S/C20H25N3O4S/c1-13(2)17(20(25)26-3)22-18(24)16-11-15(14-5-4-6-21-12-14)19(28-16)23-7-9-27-10-8-23/h4-6,11-13,17H,7-10H2,1-3H3,(H,22,24)
InChIKeyHMUCJFQOURYXQX-UHFFFAOYSA-N
XLogP2.57
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate with MolForge

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Related Compounds

(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
CID 11842439
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
CID 46953657
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
N-methyl-5-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 110237381
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
CID 69026448
N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide
CID 45354909
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate (CID 110237373) is methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate is COC(=O)C(NC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate?
The InChIKey is HMUCJFQOURYXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(2)17(20(25)26-3)22-18(24)16-11-15(14-5-4-6-21-12-14)19(28-16)23-7-9-27-10-8-23/h4-6,11-13,17H,7-10H2,1-3H3,(H,22,24).
What are the key properties of methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate has a molecular weight of 403.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate is sourced from PubChem (CID 110237373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).