methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate

C23H23N3O5S — CID 159354705

IUPACmethyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate
SMILESCCC(=O)c1cc(Oc2ccc(CNC(=O)Nc3c(C)csc3C(=O)OC)cc2)ccn1
InChIInChI=1S/C23H23N3O5S/c1-4-19(27)18-11-17(9-10-24-18)31-16-7-5-15(6-8-16)12-25-23(29)26-20-14(2)13-32-21(20)22(28)30-3/h5-11,13H,4,12H2,1-3H3,(H2,25,26,29)
InChIKeyLHTVOKQPIZQCLR-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.94
Rot. Bonds8

About methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate

methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate (PubChem CID 159354705) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate
PubChem CID159354705
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Namemethyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate
SMILESCCC(=O)c1cc(Oc2ccc(CNC(=O)Nc3c(C)csc3C(=O)OC)cc2)ccn1
InChIInChI=1S/C23H23N3O5S/c1-4-19(27)18-11-17(9-10-24-18)31-16-7-5-15(6-8-16)12-25-23(29)26-20-14(2)13-32-21(20)22(28)30-3/h5-11,13H,4,12H2,1-3H3,(H2,25,26,29)
InChIKeyLHTVOKQPIZQCLR-UHFFFAOYSA-N
XLogP4.94
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
CID 160809012
ethyl 5-bromo-4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
CID 161311385
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate
CID 142886643
1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
CID 160513371
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293271
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519
4-[4-[[[3-(dimethylamino)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044455
methyl 2-[5-chloro-2-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]methylcarbamoylamino]-3-(trifluoromethyl)phenoxy]acetate
CID 154296646
4-[4-[[[4-acetamido-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293320

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate (CID 159354705) is methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate is CCC(=O)c1cc(Oc2ccc(CNC(=O)Nc3c(C)csc3C(=O)OC)cc2)ccn1.
What is the InChIKey of methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate?
The InChIKey is LHTVOKQPIZQCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-4-19(27)18-11-17(9-10-24-18)31-16-7-5-15(6-8-16)12-25-23(29)26-20-14(2)13-32-21(20)22(28)30-3/h5-11,13H,4,12H2,1-3H3,(H2,25,26,29).
What are the key properties of methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate?
methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate has a molecular weight of 453.52 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 159354705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).