methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate

C15H18N2O3S — CID 51575049

IUPACmethyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccs2)c1C
InChIInChI=1S/C15H18N2O3S/c1-8-12(15(19)20-4)10(3)16-13(8)14(18)17-9(2)11-6-5-7-21-11/h5-7,9,16H,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyXHDLCMMOSPSOEX-SECBINFHSA-N
MW306.39 g/mol
LogP2.97
Rot. Bonds4

About methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 51575049) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID51575049
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Namemethyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccs2)c1C
InChIInChI=1S/C15H18N2O3S/c1-8-12(15(19)20-4)10(3)16-13(8)14(18)17-9(2)11-6-5-7-21-11/h5-7,9,16H,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyXHDLCMMOSPSOEX-SECBINFHSA-N
XLogP2.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 2,4-dimethyl-5-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 16595197
methyl 5-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55335094
methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 52719432
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
methyl 2,4-dimethyl-5-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 42119846
methyl 5-[[(2S)-1-(3-chlorophenyl)propan-2-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51950301
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7560451
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8920722

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate (CID 51575049) is methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccs2)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is XHDLCMMOSPSOEX-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-8-12(15(19)20-4)10(3)16-13(8)14(18)17-9(2)11-6-5-7-21-11/h5-7,9,16H,1-4H3,(H,17,18)/t9-/m1/s1.
What are the key properties of methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51575049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).