N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide

C23H23N3O3S2 — CID 33297368

IUPACN-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1c(NC(=O)CCNC(=O)c2cccs2)cccc1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C23H23N3O3S2/c1-15-17(23(29)26-11-8-19-16(14-26)9-13-31-19)4-2-5-18(15)25-21(27)7-10-24-22(28)20-6-3-12-30-20/h2-6,9,12-13H,7-8,10-11,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyDAVLFXSWPKRZKR-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.08
Rot. Bonds6

About N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 33297368) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID33297368
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC NameN-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1c(NC(=O)CCNC(=O)c2cccs2)cccc1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C23H23N3O3S2/c1-15-17(23(29)26-11-8-19-16(14-26)9-13-31-19)4-2-5-18(15)25-21(27)7-10-24-22(28)20-6-3-12-30-20/h2-6,9,12-13H,7-8,10-11,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyDAVLFXSWPKRZKR-UHFFFAOYSA-N
XLogP4.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 33301553
3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride
CID 119278974
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(2-methoxyethyl)urea
CID 71895876
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 33304902
N-[2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-2-oxoethyl]prop-2-enamide
CID 166411576
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33304130
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 78904536
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 33301278
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46559191
4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
CID 46542148
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 33297727
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30751017

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide (CID 33297368) is N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide is Cc1c(NC(=O)CCNC(=O)c2cccs2)cccc1C(=O)N1CCc2sccc2C1.
What is the InChIKey of N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is DAVLFXSWPKRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-15-17(23(29)26-11-8-19-16(14-26)9-13-31-19)4-2-5-18(15)25-21(27)7-10-24-22(28)20-6-3-12-30-20/h2-6,9,12-13H,7-8,10-11,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 33297368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).