N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide

C15H16Cl2N2OS — CID 120568871

IUPACN-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C15H16Cl2N2OS/c1-9-5-6-11(18)8-12(9)19-14(20)4-2-3-10-7-13(16)21-15(10)17/h5-8H,2-4,18H2,1H3,(H,19,20)
InChIKeyPRZTZNRBEUOZKP-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.91
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide

N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide (PubChem CID 120568871) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide
PubChem CID120568871
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC NameN-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C15H16Cl2N2OS/c1-9-5-6-11(18)8-12(9)19-14(20)4-2-3-10-7-13(16)21-15(10)17/h5-8H,2-4,18H2,1H3,(H,19,20)
InChIKeyPRZTZNRBEUOZKP-UHFFFAOYSA-N
XLogP4.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride
CID 119421686
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide
CID 71971792
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide (CID 120568871) is N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide is Cc1ccc(N)cc1NC(=O)CCCc1cc(Cl)sc1Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide?
The InChIKey is PRZTZNRBEUOZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-9-5-6-11(18)8-12(9)19-14(20)4-2-3-10-7-13(16)21-15(10)17/h5-8H,2-4,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide?
N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide has a molecular weight of 343.28 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide is sourced from PubChem (CID 120568871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).