4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide

C14H18N2OS — CID 24654506

IUPAC4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCCCNC(=O)c1c(-n2cccc2)sc(C)c1C
InChIInChI=1S/C14H18N2OS/c1-4-7-15-13(17)12-10(2)11(3)18-14(12)16-8-5-6-9-16/h5-6,8-9H,4,7H2,1-3H3,(H,15,17)
InChIKeyIWOOSPHNWGHGJR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.30
Rot. Bonds4

About 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide

4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 24654506) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID24654506
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCCCNC(=O)c1c(-n2cccc2)sc(C)c1C
InChIInChI=1S/C14H18N2OS/c1-4-7-15-13(17)12-10(2)11(3)18-14(12)16-8-5-6-9-16/h5-6,8-9H,4,7H2,1-3H3,(H,15,17)
InChIKeyIWOOSPHNWGHGJR-UHFFFAOYSA-N
XLogP3.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 9362533
N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 51112604
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 55745887
4,5-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24652584
N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24624352
N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24669676
4-ethyl-5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
CID 17390003
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125433878
4,5-dimethyl-2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]thiophene-3-carboxamide
CID 125431094

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 24654506) is 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide is CCCNC(=O)c1c(-n2cccc2)sc(C)c1C.
What is the InChIKey of 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is IWOOSPHNWGHGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-7-15-13(17)12-10(2)11(3)18-14(12)16-8-5-6-9-16/h5-6,8-9H,4,7H2,1-3H3,(H,15,17).
What are the key properties of 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide?
4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 24654506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).