N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide

C21H27N3O2S — CID 9000797

IUPACN,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2C)c1
InChIInChI=1S/C21H27N3O2S/c1-4-23(5-2)21(26)16-7-6-8-17(13-16)22-20(25)14-24-11-9-19-18(15(24)3)10-12-27-19/h6-8,10,12-13,15H,4-5,9,11,14H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyLDZFSMTZGUGCTC-OAHLLOKOSA-N
MW385.53 g/mol
LogP3.79
Rot. Bonds6

About N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide (PubChem CID 9000797) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
PubChem CID9000797
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2C)c1
InChIInChI=1S/C21H27N3O2S/c1-4-23(5-2)21(26)16-7-6-8-17(13-16)22-20(25)14-24-11-9-19-18(15(24)3)10-12-27-19/h6-8,10,12-13,15H,4-5,9,11,14H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyLDZFSMTZGUGCTC-OAHLLOKOSA-N
XLogP3.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzamide
CID 51227430
N-(3-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000151
N-(4-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999657
N-(4-iodophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999831
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918
5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide
CID 45355691
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
CID 9001964
N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86924989
N-(2,4-dimethylphenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999878
N-(2-cyanophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999750
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 25475294

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide (CID 9000797) is N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2C)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide?
The InChIKey is LDZFSMTZGUGCTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-4-23(5-2)21(26)16-7-6-8-17(13-16)22-20(25)14-24-11-9-19-18(15(24)3)10-12-27-19/h6-8,10,12-13,15H,4-5,9,11,14H2,1-3H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide has a molecular weight of 385.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide is sourced from PubChem (CID 9000797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).