4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide

C19H21N3OS — CID 54527661

IUPAC4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
SMILESC[C@@H]1Cc2ccsc2[C@H](C)N1CCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H21N3OS/c1-13-11-17-7-10-24-18(17)14(2)22(13)9-8-21-19(23)16-5-3-15(12-20)4-6-16/h3-7,10,13-14H,8-9,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyYUGDGNTYZPGIDC-KGLIPLIRSA-N
MW339.46 g/mol
LogP3.36
Rot. Bonds4

About 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide

4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide (PubChem CID 54527661) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
PubChem CID54527661
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
SMILESC[C@@H]1Cc2ccsc2[C@H](C)N1CCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H21N3OS/c1-13-11-17-7-10-24-18(17)14(2)22(13)9-8-21-19(23)16-5-3-15(12-20)4-6-16/h3-7,10,13-14H,8-9,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyYUGDGNTYZPGIDC-KGLIPLIRSA-N
XLogP3.36
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide (CID 54527661) is 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide is C[C@@H]1Cc2ccsc2[C@H](C)N1CCNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
The InChIKey is YUGDGNTYZPGIDC-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-11-17-7-10-24-18(17)14(2)22(13)9-8-21-19(23)16-5-3-15(12-20)4-6-16/h3-7,10,13-14H,8-9,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1.
What are the key properties of 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide is sourced from PubChem (CID 54527661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).