N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide

C14H14Cl2N2OS — CID 4596210

IUPACN-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCC(NCc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-9(17-8-13-3-2-4-20-13)14(19)18-12-6-10(15)5-11(16)7-12/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyUZAQKDSLSVVUPR-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.17
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide

N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide (PubChem CID 4596210) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
PubChem CID4596210
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC NameN-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCC(NCc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-9(17-8-13-3-2-4-20-13)14(19)18-12-6-10(15)5-11(16)7-12/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyUZAQKDSLSVVUPR-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 4882299
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
1-(4-Chlorophenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2882225
N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4852470
N-(3,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2555867
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 162643926
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 24685979
1-(3-Chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
CID 2808135
Acetamide, N-(3-chlorophenyl)-2-(2-thienyl)-
CID 531785
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 2472556
1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219804
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 25695340

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide (CID 4596210) is N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide is CC(NCc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is UZAQKDSLSVVUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-9(17-8-13-3-2-4-20-13)14(19)18-12-6-10(15)5-11(16)7-12/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 329.25 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 4596210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).