4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide

C15H17ClN2O2S — CID 31282206

IUPAC4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(Cl)s2)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-8-13(10(3)19)9(2)17-14(8)15(20)18(4)7-11-5-6-12(16)21-11/h5-6,17H,7H2,1-4H3
InChIKeyAZUSMBMZXQRCQA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.82
Rot. Bonds4

About 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide (PubChem CID 31282206) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
PubChem CID31282206
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(Cl)s2)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-8-13(10(3)19)9(2)17-14(8)15(20)18(4)7-11-5-6-12(16)21-11/h5-6,17H,7H2,1-4H3
InChIKeyAZUSMBMZXQRCQA-UHFFFAOYSA-N
XLogP3.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

methyl 5-[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31282221
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 9293440
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
CID 9261818
N-[(5-chlorothiophen-2-yl)methyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 86768754
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9087892
4-acetyl-N,3,5-trimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8965234
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
4-acetyl-N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide
CID 55845150
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxy-N-methylbenzamide
CID 114344048
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide (CID 31282206) is 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(Cl)s2)c1C.
What is the InChIKey of 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is AZUSMBMZXQRCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-8-13(10(3)19)9(2)17-14(8)15(20)18(4)7-11-5-6-12(16)21-11/h5-6,17H,7H2,1-4H3.
What are the key properties of 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31282206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).