N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide

C15H17ClN2OS — CID 119548205

IUPACN-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESNc1ccc(CCNC(=O)CCc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H17ClN2OS/c16-14-7-5-13(20-14)6-8-15(19)18-10-9-11-1-3-12(17)4-2-11/h1-5,7H,6,8-10,17H2,(H,18,19)
InChIKeyAKMSTMMDVMTSJA-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide

N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide (PubChem CID 119548205) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
PubChem CID119548205
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESNc1ccc(CCNC(=O)CCc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H17ClN2OS/c16-14-7-5-13(20-14)6-8-15(19)18-10-9-11-1-3-12(17)4-2-11/h1-5,7H,6,8-10,17H2,(H,18,19)
InChIKeyAKMSTMMDVMTSJA-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[3-(5-chlorothiophen-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255845
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119547677
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide (CID 119548205) is N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide is Nc1ccc(CCNC(=O)CCc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is AKMSTMMDVMTSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-14-7-5-13(20-14)6-8-15(19)18-10-9-11-1-3-12(17)4-2-11/h1-5,7H,6,8-10,17H2,(H,18,19).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide?
N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 308.83 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119548205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).