N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide

C19H23Cl2N3O2S — CID 112770369

IUPACN-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
SMILESCC(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N3O2S/c1-13(19(25)23-16-5-4-14(20)11-15(16)21)22-12-17(18-3-2-10-27-18)24-6-8-26-9-7-24/h2-5,10-11,13,17,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyXFIDNMJCFBZDJS-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.05
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide

N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide (PubChem CID 112770369) has the molecular formula C19H23Cl2N3O2S and a molecular weight of 428.39 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
PubChem CID112770369
Molecular FormulaC19H23Cl2N3O2S
Molecular Weight428.39 g/mol
Exact Mass427.09
IUPAC NameN-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
SMILESCC(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N3O2S/c1-13(19(25)23-16-5-4-14(20)11-15(16)21)22-12-17(18-3-2-10-27-18)24-6-8-26-9-7-24/h2-5,10-11,13,17,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyXFIDNMJCFBZDJS-UHFFFAOYSA-N
XLogP4.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
CID 112770372
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
CID 3065025
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
4-chloro-N-[3-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]benzamide
CID 17483110
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119829185
N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835121
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide
CID 30961227
3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835865

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide (CID 112770369) is N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide is CC(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
The InChIKey is XFIDNMJCFBZDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O2S/c1-13(19(25)23-16-5-4-14(20)11-15(16)21)22-12-17(18-3-2-10-27-18)24-6-8-26-9-7-24/h2-5,10-11,13,17,22H,6-9,12H2,1H3,(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide?
N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide has a molecular weight of 428.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide is sourced from PubChem (CID 112770369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).