N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide

C21H17N3O2S — CID 22892054

IUPACN-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)ccn23)c1
InChIInChI=1S/C21H17N3O2S/c1-14(25)23(2)16-6-3-5-15(13-16)18-8-10-22-21-17(9-11-24(18)21)20(26)19-7-4-12-27-19/h3-13H,1-2H3
InChIKeyVKPVCAIEEDZEIR-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.28
Rot. Bonds4

About N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide

N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 22892054) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide
PubChem CID22892054
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)ccn23)c1
InChIInChI=1S/C21H17N3O2S/c1-14(25)23(2)16-6-3-5-15(13-16)18-8-10-22-21-17(9-11-24(18)21)20(26)19-7-4-12-27-19/h3-13H,1-2H3
InChIKeyVKPVCAIEEDZEIR-UHFFFAOYSA-N
XLogP4.28
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
CID 23649037
N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11627027
N-ethyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11697899
1-cyano-2-propan-2-yl-1-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]guanidine
CID 87916504
2-cyano-N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11706004
CID 87898441
CID 87898441
[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 11531944
N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
CID 86603960
[7-[3-(3,3-dimethylbutylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 44590590
N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 10383110
2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide
CID 11662100
3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11281152

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide (CID 22892054) is N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide is CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)ccn23)c1.
What is the InChIKey of N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is VKPVCAIEEDZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14(25)23(2)16-6-3-5-15(13-16)18-8-10-22-21-17(9-11-24(18)21)20(26)19-7-4-12-27-19/h3-13H,1-2H3.
What are the key properties of N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide?
N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 375.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[8-(thiophene-2-carbonyl)pyrrolo[1,2-a]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 22892054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).