N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride

C15H17Cl3N2O2S — CID 119421686

IUPACN-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCCc2cc(Cl)sc2Cl)c1.Cl
InChIInChI=1S/C15H16Cl2N2O2S.ClH/c1-21-10-5-6-11(18)12(8-10)19-14(20)4-2-3-9-7-13(16)22-15(9)17;/h5-8H,2-4,18H2,1H3,(H,19,20);1H
InChIKeyLZDFLDXWYRNDQI-UHFFFAOYSA-N
MW395.74 g/mol
LogP5.03
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride (PubChem CID 119421686) has the molecular formula C15H17Cl3N2O2S and a molecular weight of 395.74 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride
PubChem CID119421686
Molecular FormulaC15H17Cl3N2O2S
Molecular Weight395.74 g/mol
Exact Mass394.01
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCCc2cc(Cl)sc2Cl)c1.Cl
InChIInChI=1S/C15H16Cl2N2O2S.ClH/c1-21-10-5-6-11(18)12(8-10)19-14(20)4-2-3-9-7-13(16)22-15(9)17;/h5-8H,2-4,18H2,1H3,(H,19,20);1H
InChIKeyLZDFLDXWYRNDQI-UHFFFAOYSA-N
XLogP5.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.74
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride 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-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide
CID 120568871
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119421073
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 119421736
N-(6-amino-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)butanamide
CID 119617986
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2-amino-5-methoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 63257743
N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
CID 63257845

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride (CID 119421686) is N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride is COc1ccc(N)c(NC(=O)CCCc2cc(Cl)sc2Cl)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride?
The InChIKey is LZDFLDXWYRNDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S.ClH/c1-21-10-5-6-11(18)12(8-10)19-14(20)4-2-3-9-7-13(16)22-15(9)17;/h5-8H,2-4,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride has a molecular weight of 395.74 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119421686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).