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

C16H18N2O4S2 — CID 1313207

IUPACethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C16H18N2O4S2/c1-5-22-16(21)11-9(2)12(15(20)18(3)4)24-14(11)17-13(19)10-7-6-8-23-10/h6-8H,5H2,1-4H3,(H,17,19)
InChIKeyNOWNIZIDKRYKIL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.25
Rot. Bonds5

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

ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 1313207) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID1313207
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C16H18N2O4S2/c1-5-22-16(21)11-9(2)12(15(20)18(3)4)24-14(11)17-13(19)10-7-6-8-23-10/h6-8H,5H2,1-4H3,(H,17,19)
InChIKeyNOWNIZIDKRYKIL-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
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
Ethyl 2-[[2-(diethylamino)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 1251215
Ethyl 5-(aminocarbonyl)-4-methyl-2-{[phenyl(phenylthio)acetyl]amino}-3-thiophenecarboxylate
CID 2933309
Isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
CID 3318459
Ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
CID 2354963
4,5-Dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 650856
4-Methyl-5-(piperidine-1-carbonyl)-2-(2-thiophen-2-yl-acetylamino)-thiophene-3-carboxylic acid methyl ester
CID 652711

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 1313207) is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is NOWNIZIDKRYKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-5-22-16(21)11-9(2)12(15(20)18(3)4)24-14(11)17-13(19)10-7-6-8-23-10/h6-8H,5H2,1-4H3,(H,17,19).
What are the key properties of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1313207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).