N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H19N3O2S — CID 46682542

IUPACN-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)C(C)NC(=O)c2cccs2)n1C
InChIInChI=1S/C15H19N3O2S/c1-10-6-7-12(18(10)3)9-16-14(19)11(2)17-15(20)13-5-4-8-21-13/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyOMLDBTTZRVROTK-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.83
Rot. Bonds5

About N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46682542) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46682542
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)C(C)NC(=O)c2cccs2)n1C
InChIInChI=1S/C15H19N3O2S/c1-10-6-7-12(18(10)3)9-16-14(19)11(2)17-15(20)13-5-4-8-21-13/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyOMLDBTTZRVROTK-UHFFFAOYSA-N
XLogP1.83
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(1-methyl-1H-pyrrol-2-yl)-acetamide
CID 645756
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
Pyridine-2-carboxylic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-phenyl-amide
CID 3205945
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 3950572
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 4307489
N-[[5-(hydroxycarbamoyl)thiophen-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 73333212
N~5~-allyl-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 3225254
4-methyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225319
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid cyclohexylamide
CID 650500
2-(1H-pyrrol-1-yl)-N-(thien-2-ylmethyl)propanamide
CID 3239942
2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-N-(thiophen-2-ylmethyl)acetamide
CID 3242546

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46682542) is N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ccc(CNC(=O)C(C)NC(=O)c2cccs2)n1C.
What is the InChIKey of N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is OMLDBTTZRVROTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-6-7-12(18(10)3)9-16-14(19)11(2)17-15(20)13-5-4-8-21-13/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46682542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).