methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

C20H29N3O3S — CID 55660405

IUPACmethyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCC(c2ccsc2)N(CC)CC)c(C)c1C(=O)OC
InChIInChI=1S/C20H29N3O3S/c1-6-15-17(20(25)26-5)13(4)18(22-15)19(24)21-11-16(23(7-2)8-3)14-9-10-27-12-14/h9-10,12,16,22H,6-8,11H2,1-5H3,(H,21,24)
InChIKeySRNGBJZHJXQBRT-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.55
Rot. Bonds9

About methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 55660405) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID55660405
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Namemethyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCC(c2ccsc2)N(CC)CC)c(C)c1C(=O)OC
InChIInChI=1S/C20H29N3O3S/c1-6-15-17(20(25)26-5)13(4)18(22-15)19(24)21-11-16(23(7-2)8-3)14-9-10-27-12-14/h9-10,12,16,22H,6-8,11H2,1-5H3,(H,21,24)
InChIKeySRNGBJZHJXQBRT-UHFFFAOYSA-N
XLogP3.55
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 39214885
methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
methyl 5-[[(2R)-2-(dimethylamino)-2-phenylethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 41292728
methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31141082
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39209724
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51941884
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55843411
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
methyl 5-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 51315314

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (CID 55660405) is methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NCC(c2ccsc2)N(CC)CC)c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is SRNGBJZHJXQBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-6-15-17(20(25)26-5)13(4)18(22-15)19(24)21-11-16(23(7-2)8-3)14-9-10-27-12-14/h9-10,12,16,22H,6-8,11H2,1-5H3,(H,21,24).
What are the key properties of methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 391.54 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55660405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).