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

C18H17N3O2S — CID 829077

IUPACN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C18H17N3O2S/c1-12-14(11-19)17(20-16(22)13-7-3-2-4-8-13)24-15(12)18(23)21-9-5-6-10-21/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,22)
InChIKeyOWRLJYUOMGEYAT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.42
Rot. Bonds3

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

N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide (PubChem CID 829077) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide
PubChem CID829077
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C18H17N3O2S/c1-12-14(11-19)17(20-16(22)13-7-3-2-4-8-13)24-15(12)18(23)21-9-5-6-10-21/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,22)
InChIKeyOWRLJYUOMGEYAT-UHFFFAOYSA-N
XLogP3.42
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]benzamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide (CID 829077) is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide is Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccccc2)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide?
The InChIKey is OWRLJYUOMGEYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-14(11-19)17(20-16(22)13-7-3-2-4-8-13)24-15(12)18(23)21-9-5-6-10-21/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,22).
What are the key properties of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide?
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 829077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).