propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

C16H19NO3S2 — CID 868671

IUPACpropan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C
InChIInChI=1S/C16H19NO3S2/c1-5-11-10(4)22-15(13(11)16(19)20-9(2)3)17-14(18)12-7-6-8-21-12/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyZOWLSIPACNYHEW-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.50
Rot. Bonds5

About propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 868671) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID868671
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Namepropan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C
InChIInChI=1S/C16H19NO3S2/c1-5-11-10(4)22-15(13(11)16(19)20-9(2)3)17-14(18)12-7-6-8-21-12/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyZOWLSIPACNYHEW-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 543159
2-(2-Thiophen-2-yl-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
CID 653152
Diethyl 2-[(Thiophen-2-Ylacetyl)amino]-4,7-Dihydrothieno[2,3-C]pyridine-3,6(5h)-Dicarboxylate
CID 30515311
3-O-cyclopentyl 6-O-ethyl 2-[(2-thiophen-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 53393812
Ethyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 391237
Methyl 2-(3-phenylpropanamido)thiophene-3-carboxylate
CID 3332875
5-[(3-Ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid
CID 661072
Ethyl 5'-(acetylamino)-2,3'-bithiophene-4'-carboxylate
CID 759955
4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
2-[[Oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester
CID 870240
Isopropyl 2-{[3-(2-furyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 897188
Ethyl 2-[[2-(diethylamino)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 1251215

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 868671) is propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is ZOWLSIPACNYHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-5-11-10(4)22-15(13(11)16(19)20-9(2)3)17-14(18)12-7-6-8-21-12/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 337.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 868671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).