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

C19H21N3O4S — CID 9002166

IUPAC2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1
InChIInChI=1S/C19H21N3O4S/c1-26-16-5-4-13(22(24)25)10-15(16)20-18(23)11-21-8-6-17-14(7-9-27-17)19(21)12-2-3-12/h4-5,7,9-10,12,19H,2-3,6,8,11H2,1H3,(H,20,23)/t19-/m0/s1
InChIKeyLTGOSLXKZJOVDJ-IBGZPJMESA-N
MW387.46 g/mol
LogP3.61
Rot. Bonds6

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

2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 9002166) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID9002166
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1
InChIInChI=1S/C19H21N3O4S/c1-26-16-5-4-13(22(24)25)10-15(16)20-18(23)11-21-8-6-17-14(7-9-27-17)19(21)12-2-3-12/h4-5,7,9-10,12,19H,2-3,6,8,11H2,1H3,(H,20,23)/t19-/m0/s1
InChIKeyLTGOSLXKZJOVDJ-IBGZPJMESA-N
XLogP3.61
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9002332
methyl 3-[[2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]-4-methylbenzoate
CID 9002431
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8835179
N-(5-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002705
N-(5-acetamido-2-methoxyphenyl)-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26670250
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
CID 9002193
N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999892
N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973112
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9002905
N-(2,4-dimethoxyphenyl)-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46482784
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8832602

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide (CID 9002166) is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is LTGOSLXKZJOVDJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-26-16-5-4-13(22(24)25)10-15(16)20-18(23)11-21-8-6-17-14(7-9-27-17)19(21)12-2-3-12/h4-5,7,9-10,12,19H,2-3,6,8,11H2,1H3,(H,20,23)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 9002166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).