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

C18H23N3OS — CID 54294089

IUPAC4-amino-N-[2-[(5S,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(N)cc1
InChIInChI=1S/C18H23N3OS/c1-12-11-15-7-10-23-17(15)13(2)21(12)9-8-20-18(22)14-3-5-16(19)6-4-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyRZOHDFBHKVRWRM-STQMWFEESA-N
MW329.47 g/mol
LogP3.07
Rot. Bonds4

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

4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide (PubChem CID 54294089) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
PubChem CID54294089
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name4-amino-N-[2-[(5S,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(N)cc1
InChIInChI=1S/C18H23N3OS/c1-12-11-15-7-10-23-17(15)13(2)21(12)9-8-20-18(22)14-3-5-16(19)6-4-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyRZOHDFBHKVRWRM-STQMWFEESA-N
XLogP3.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide (CID 54294089) is 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(5S,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(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
The InChIKey is RZOHDFBHKVRWRM-STQMWFEESA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-11-15-7-10-23-17(15)13(2)21(12)9-8-20-18(22)14-3-5-16(19)6-4-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,20,22)/t12-,13-/m0/s1.
What are the key properties of 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide?
4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide has a molecular weight of 329.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide is sourced from PubChem (CID 54294089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).