2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide

C12H13N3O2S — CID 166317088

IUPAC2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide
SMILESCc1ccsc1CNC(=O)c1ccc(C(N)=O)[nH]1
InChIInChI=1S/C12H13N3O2S/c1-7-4-5-18-10(7)6-14-12(17)9-3-2-8(15-9)11(13)16/h2-5,15H,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyVUPJWNZYCMXZFY-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.41
Rot. Bonds4

About 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide

2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide (PubChem CID 166317088) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide
PubChem CID166317088
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide
SMILESCc1ccsc1CNC(=O)c1ccc(C(N)=O)[nH]1
InChIInChI=1S/C12H13N3O2S/c1-7-4-5-18-10(7)6-14-12(17)9-3-2-8(15-9)11(13)16/h2-5,15H,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyVUPJWNZYCMXZFY-UHFFFAOYSA-N
XLogP1.41
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81420408
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 32958855
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78990763

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide (CID 166317088) is 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide is Cc1ccsc1CNC(=O)c1ccc(C(N)=O)[nH]1.
What is the InChIKey of 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is VUPJWNZYCMXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-4-5-18-10(7)6-14-12(17)9-3-2-8(15-9)11(13)16/h2-5,15H,6H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide?
2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 166317088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).