ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate

C16H18N2O4S — CID 4771964

IUPACethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N)c(C(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C16H18N2O4S/c1-4-22-16(20)13-9(2)12(14(17)23-13)15(19)18-10-5-7-11(21-3)8-6-10/h5-8H,4,17H2,1-3H3,(H,18,19)
InChIKeyWTFJJKISFONNBM-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.08
Rot. Bonds5

About ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate

ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate (PubChem CID 4771964) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
PubChem CID4771964
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N)c(C(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C16H18N2O4S/c1-4-22-16(20)13-9(2)12(14(17)23-13)15(19)18-10-5-7-11(21-3)8-6-10/h5-8H,4,17H2,1-3H3,(H,18,19)
InChIKeyWTFJJKISFONNBM-UHFFFAOYSA-N
XLogP3.08
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-amino-4-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]-3-methylthiophene-2-carboxylate
CID 44579262
2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
CID 722851
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 10090791
ethyl 2-(furan-2-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 3117483
diethyl 5-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 1184315
diethyl 5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5052468
ethyl 5-(benzenesulfonamido)-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 126063687
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693937
diethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 4564046
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1125057
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate (CID 4771964) is ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(N)c(C(=O)Nc2ccc(OC)cc2)c1C.
What is the InChIKey of ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate?
The InChIKey is WTFJJKISFONNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-4-22-16(20)13-9(2)12(14(17)23-13)15(19)18-10-5-7-11(21-3)8-6-10/h5-8H,4,17H2,1-3H3,(H,18,19).
What are the key properties of ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate?
ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 4771964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).