N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C19H25N3OS — CID 18137887

IUPACN-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCc3sccc3C2)cc1
InChIInChI=1S/C19H25N3OS/c1-3-22(4-2)17-7-5-16(6-8-17)20-19(23)14-21-11-9-18-15(13-21)10-12-24-18/h5-8,10,12H,3-4,9,11,13-14H2,1-2H3,(H,20,23)
InChIKeyBUBUKEDCQQVCPO-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.59
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 18137887) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID18137887
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCc3sccc3C2)cc1
InChIInChI=1S/C19H25N3OS/c1-3-22(4-2)17-7-5-16(6-8-17)20-19(23)14-21-11-9-18-15(13-21)10-12-24-18/h5-8,10,12H,3-4,9,11,13-14H2,1-2H3,(H,20,23)
InChIKeyBUBUKEDCQQVCPO-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17456500
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60563534
N-(2-chloro-4,6-dimethylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137943
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
ethyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 154859853
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
CID 60569410

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 18137887) is N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is CCN(CC)c1ccc(NC(=O)CN2CCc3sccc3C2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is BUBUKEDCQQVCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-22(4-2)17-7-5-16(6-8-17)20-19(23)14-21-11-9-18-15(13-21)10-12-24-18/h5-8,10,12H,3-4,9,11,13-14H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 18137887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).