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

C21H19N3O3S — CID 25480406

IUPACN-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O3S/c25-20(22-16-6-8-17(9-7-16)24(26)27)14-23-12-10-19-18(11-13-28-19)21(23)15-4-2-1-3-5-15/h1-9,11,13,21H,10,12,14H2,(H,22,25)/t21-/m0/s1
InChIKeyHDECONQUGJXOJC-NRFANRHFSA-N
MW393.47 g/mol
LogP4.24
Rot. Bonds5

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

N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 25480406) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID25480406
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O3S/c25-20(22-16-6-8-17(9-7-16)24(26)27)14-23-12-10-19-18(11-13-28-19)21(23)15-4-2-1-3-5-15/h1-9,11,13,21H,10,12,14H2,(H,22,25)/t21-/m0/s1
InChIKeyHDECONQUGJXOJC-NRFANRHFSA-N
XLogP4.24
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
N-(4-methylphenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492704
N-(3,4-difluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492460
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
1-[(3R)-3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 129423250
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51244387
N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide
CID 40882407
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889
N-(furan-2-ylmethyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41014272
N-[(2-methylphenyl)methyl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46564008
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18094635
1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 46078359

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 25480406) is N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is HDECONQUGJXOJC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-20(22-16-6-8-17(9-7-16)24(26)27)14-23-12-10-19-18(11-13-28-19)21(23)15-4-2-1-3-5-15/h1-9,11,13,21H,10,12,14H2,(H,22,25)/t21-/m0/s1.
What are the key properties of N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 25480406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).