propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C18H24N2O3S — CID 32582552

IUPACpropan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C18H24N2O3S/c1-6-20(10-14-8-7-9-24-14)17(21)16-12(4)15(13(5)19-16)18(22)23-11(2)3/h7-9,11,19H,6,10H2,1-5H3
InChIKeyWIXHWEOYIRLSPD-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.92
Rot. Bonds6

About propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 32582552) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID32582552
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Namepropan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C18H24N2O3S/c1-6-20(10-14-8-7-9-24-14)17(21)16-12(4)15(13(5)19-16)18(22)23-11(2)3/h7-9,11,19H,6,10H2,1-5H3
InChIKeyWIXHWEOYIRLSPD-UHFFFAOYSA-N
XLogP3.92
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8508665
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 60571192
propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 30597236
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55835250
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
propan-2-yl 5-(2-methoxyethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17393738
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 32582552) is propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is WIXHWEOYIRLSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-6-20(10-14-8-7-9-24-14)17(21)16-12(4)15(13(5)19-16)18(22)23-11(2)3/h7-9,11,19H,6,10H2,1-5H3.
What are the key properties of propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 348.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 32582552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).