4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide

C15H15N3O3S3 — CID 71199206

IUPAC4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)CCc1cc(-c2cc3c(N)ncc(C(N)=O)c3s2)cs1
InChIInChI=1S/C15H15N3O3S3/c1-24(20,21)3-2-9-4-8(7-22-9)12-5-10-13(23-12)11(15(17)19)6-18-14(10)16/h4-7H,2-3H2,1H3,(H2,16,18)(H2,17,19)
InChIKeyMYRBLHSFUMXORR-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.29
Rot. Bonds5

About 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 71199206) has the molecular formula C15H15N3O3S3 and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID71199206
Molecular FormulaC15H15N3O3S3
Molecular Weight381.50 g/mol
Exact Mass381.03
IUPAC Name4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)CCc1cc(-c2cc3c(N)ncc(C(N)=O)c3s2)cs1
InChIInChI=1S/C15H15N3O3S3/c1-24(20,21)3-2-9-4-8(7-22-9)12-5-10-13(23-12)11(15(17)19)6-18-14(10)16/h4-7H,2-3H2,1H3,(H2,16,18)(H2,17,19)
InChIKeyMYRBLHSFUMXORR-UHFFFAOYSA-N
XLogP2.29
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide (CID 71199206) is 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide is CS(=O)(=O)CCc1cc(-c2cc3c(N)ncc(C(N)=O)c3s2)cs1.
What is the InChIKey of 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is MYRBLHSFUMXORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S3/c1-24(20,21)3-2-9-4-8(7-22-9)12-5-10-13(23-12)11(15(17)19)6-18-14(10)16/h4-7H,2-3H2,1H3,(H2,16,18)(H2,17,19).
What are the key properties of 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 71199206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).