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

C24H25N3O5S — CID 160809012

IUPACethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)CC)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-4-20(28)19-12-18(10-11-25-19)32-17-8-6-16(7-9-17)13-26-24(30)27-22-21(15(3)14-33-22)23(29)31-5-2/h6-12,14H,4-5,13H2,1-3H3,(H2,26,27,30)
InChIKeySEBNNXCQEOBZEB-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.33
Rot. Bonds9

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

ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate (PubChem CID 160809012) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
PubChem CID160809012
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Nameethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)CC)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-4-20(28)19-12-18(10-11-25-19)32-17-8-6-16(7-9-17)13-26-24(30)27-22-21(15(3)14-33-22)23(29)31-5-2/h6-12,14H,4-5,13H2,1-3H3,(H2,26,27,30)
InChIKeySEBNNXCQEOBZEB-UHFFFAOYSA-N
XLogP5.33
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 5-bromo-4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
CID 161311385
methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate
CID 159354705
ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate
CID 142886643
ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 122574677
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
ethyl 4-methyl-2-(1,1,1-trifluoropropan-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 122574769
4-[4-[[[4,5-dimethyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 118301619
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate (CID 160809012) is ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate is CCOC(=O)c1c(C)csc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)CC)c2)cc1.
What is the InChIKey of ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate?
The InChIKey is SEBNNXCQEOBZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-4-20(28)19-12-18(10-11-25-19)32-17-8-6-16(7-9-17)13-26-24(30)27-22-21(15(3)14-33-22)23(29)31-5-2/h6-12,14H,4-5,13H2,1-3H3,(H2,26,27,30).
What are the key properties of ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate?
ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 160809012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).