ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate

C14H23N3O3S — CID 103421293

IUPACethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate
SMILESCCCN(C)c1sc(C(=O)NCC)c(N)c1C(=O)OCC
InChIInChI=1S/C14H23N3O3S/c1-5-8-17(4)13-9(14(19)20-7-3)10(15)11(21-13)12(18)16-6-2/h5-8,15H2,1-4H3,(H,16,18)
InChIKeyIUMBKMSNCFOBFU-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.10
Rot. Bonds7

About ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate

ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate (PubChem CID 103421293) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate
PubChem CID103421293
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nameethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate
SMILESCCCN(C)c1sc(C(=O)NCC)c(N)c1C(=O)OCC
InChIInChI=1S/C14H23N3O3S/c1-5-8-17(4)13-9(14(19)20-7-3)10(15)11(21-13)12(18)16-6-2/h5-8,15H2,1-4H3,(H,16,18)
InChIKeyIUMBKMSNCFOBFU-UHFFFAOYSA-N
XLogP2.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103421370
ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
CID 103421318
ethyl 4-amino-2-(dimethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103420145
4-O-ethyl 2-O-methyl 3-amino-5-[butyl(methyl)amino]thiophene-2,4-dicarboxylate
CID 103420391
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
CID 103421006
methyl 5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carboxylate
CID 103420356
3-amino-2-N-ethyl-5-[ethyl(propyl)amino]-4-N-methylthiophene-2,4-dicarboxamide
CID 103421012
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
ethyl 4-amino-5-carbamoyl-2-[methyl(2-methylpropyl)amino]thiophene-3-carboxylate
CID 103421193
methyl 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103422230
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate (CID 103421293) is ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate is CCCN(C)c1sc(C(=O)NCC)c(N)c1C(=O)OCC.
What is the InChIKey of ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate?
The InChIKey is IUMBKMSNCFOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-8-17(4)13-9(14(19)20-7-3)10(15)11(21-13)12(18)16-6-2/h5-8,15H2,1-4H3,(H,16,18).
What are the key properties of ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate?
ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate has a molecular weight of 313.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 103421293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).