N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide

C26H25N3O4S — CID 4596471

IUPACN-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1
InChIInChI=1S/C26H25N3O4S/c1-17-2-4-18(5-3-17)25-22-13-15-34-23(22)12-14-27(25)24(30)16-28(20-10-11-20)26(31)19-6-8-21(9-7-19)29(32)33/h2-9,13,15,20,25H,10-12,14,16H2,1H3
InChIKeyRMEKTZQTXOUKQQ-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.74
Rot. Bonds6

About N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide

N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide (PubChem CID 4596471) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide
PubChem CID4596471
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1
InChIInChI=1S/C26H25N3O4S/c1-17-2-4-18(5-3-17)25-22-13-15-34-23(22)12-14-27(25)24(30)16-28(20-10-11-20)26(31)19-6-8-21(9-7-19)29(32)33/h2-9,13,15,20,25H,10-12,14,16H2,1H3
InChIKeyRMEKTZQTXOUKQQ-UHFFFAOYSA-N
XLogP4.74
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
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'}

Analyze N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-methoxy-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 4573840
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methylbenzamide
CID 5003364
N-cyclopropyl-4-hexyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93110817
2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3575084
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitro-N-propylbenzamide
CID 3598077
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-4-phenylbenzamide
CID 5213132
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide
CID 5024622
N,4-ditert-butyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3482698
N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-pentylbenzamide
CID 4236910
N-tert-butyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 5014784
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
N-[2-[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 92515830

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide (CID 4596471) is N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide is Cc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide?
The InChIKey is RMEKTZQTXOUKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-17-2-4-18(5-3-17)25-22-13-15-34-23(22)12-14-27(25)24(30)16-28(20-10-11-20)26(31)19-6-8-21(9-7-19)29(32)33/h2-9,13,15,20,25H,10-12,14,16H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide?
N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide has a molecular weight of 475.57 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitrobenzamide is sourced from PubChem (CID 4596471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).