N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide

C19H23ClN4O4S — CID 112770372

IUPACN-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
SMILESCC(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H23ClN4O4S/c1-13(19(25)22-16-5-4-14(24(26)27)11-15(16)20)21-12-17(18-3-2-10-29-18)23-6-8-28-9-7-23/h2-5,10-11,13,17,21H,6-9,12H2,1H3,(H,22,25)
InChIKeyPFMYIQKKPOUTSO-UHFFFAOYSA-N
MW438.94 g/mol
LogP3.30
Rot. Bonds8

About N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide

N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide (PubChem CID 112770372) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
PubChem CID112770372
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
SMILESCC(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H23ClN4O4S/c1-13(19(25)22-16-5-4-14(24(26)27)11-15(16)20)21-12-17(18-3-2-10-29-18)23-6-8-28-9-7-23/h2-5,10-11,13,17,21H,6-9,12H2,1H3,(H,22,25)
InChIKeyPFMYIQKKPOUTSO-UHFFFAOYSA-N
XLogP3.30
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide 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-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
CID 112770369
(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 8023654
N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 4793201
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-chloro-4-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006523
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 32975939
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(4-nitrophenoxy)acetamide
CID 17014744
2-chloro-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 42909509
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25357702
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
1-ethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)methyl]guanidine;hydroiodide
CID 111284520

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide (CID 112770372) is N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide is CC(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
The InChIKey is PFMYIQKKPOUTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c1-13(19(25)22-16-5-4-14(24(26)27)11-15(16)20)21-12-17(18-3-2-10-29-18)23-6-8-28-9-7-23/h2-5,10-11,13,17,21H,6-9,12H2,1H3,(H,22,25).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide has a molecular weight of 438.94 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide is sourced from PubChem (CID 112770372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).