ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate

C10H13NO4S — CID 59636673

IUPACethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)OC
InChIInChI=1S/C10H13NO4S/c1-4-15-9(12)7-6(2)5-16-8(7)11-10(13)14-3/h5H,4H2,1-3H3,(H,11,13)
InChIKeyQRUPTSWDMUXATG-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.41
Rot. Bonds3

About ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate

ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate (PubChem CID 59636673) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
PubChem CID59636673
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Nameethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1NC(=O)OC
InChIInChI=1S/C10H13NO4S/c1-4-15-9(12)7-6(2)5-16-8(7)11-10(13)14-3/h5H,4H2,1-3H3,(H,11,13)
InChIKeyQRUPTSWDMUXATG-UHFFFAOYSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777457
ethyl 2-[(2,2-dichloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777458
ethyl 2-(2-ethoxyethylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 122574677
ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 134366435
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2807643
ethyl 4-methyl-2-(1,1,1-trifluoropropan-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 122574769
ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
ethyl 2-(2,2-dicyanoethenylamino)-4-methylthiophene-3-carboxylate
CID 2807609
ethyl 2-[(2,4-dihydroxybenzenecarbothioyl)amino]-4-methylthiophene-3-carboxylate
CID 135471561
methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 175896622
ethyl 4-(4-chlorophenyl)-2-(ethoxycarbonylamino)thiophene-3-carboxylate
CID 1291533
ethyl 2-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 720189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate (CID 59636673) is ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(C)csc1NC(=O)OC.
What is the InChIKey of ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is QRUPTSWDMUXATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-4-15-9(12)7-6(2)5-16-8(7)11-10(13)14-3/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 243.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 59636673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).