N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide

C19H19N3O3S — CID 1130986

IUPACN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1sc(C(=O)N2CCCC2)c(C)c1C#N
InChIInChI=1S/C19H19N3O3S/c1-12-14(11-20)18(26-16(12)19(24)22-9-5-6-10-22)21-17(23)13-7-3-4-8-15(13)25-2/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyATKGHOARHQCOHY-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.43
Rot. Bonds4

About N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide

N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide (PubChem CID 1130986) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide
PubChem CID1130986
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1sc(C(=O)N2CCCC2)c(C)c1C#N
InChIInChI=1S/C19H19N3O3S/c1-12-14(11-20)18(26-16(12)19(24)22-9-5-6-10-22)21-17(23)13-7-3-4-8-15(13)25-2/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyATKGHOARHQCOHY-UHFFFAOYSA-N
XLogP3.43
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide (CID 1130986) is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1sc(C(=O)N2CCCC2)c(C)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide?
The InChIKey is ATKGHOARHQCOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-14(11-20)18(26-16(12)19(24)22-9-5-6-10-22)21-17(23)13-7-3-4-8-15(13)25-2/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide?
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide has a molecular weight of 369.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 1130986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).