N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride

C14H22Cl2N2OS — CID 119776592

IUPACN-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(Cl)ccc1SC(C)C.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-10(2)19-13-7-6-11(15)9-12(13)17-14(18)5-4-8-16-3;/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,18);1H
InChIKeyZXGFHUGETPSLJT-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.20
Rot. Bonds7

About N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride

N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119776592) has the molecular formula C14H22Cl2N2OS and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119776592
Molecular FormulaC14H22Cl2N2OS
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC NameN-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(Cl)ccc1SC(C)C.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-10(2)19-13-7-6-11(15)9-12(13)17-14(18)5-4-8-16-3;/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,18);1H
InChIKeyZXGFHUGETPSLJT-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)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-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-methylsulfonylpropanamide
CID 56827237
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119705332
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
CID 82264840
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
3-[(5-chloro-2-propan-2-ylsulfanylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079562
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride (CID 119776592) is N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(Cl)ccc1SC(C)C.Cl.
What is the InChIKey of N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZXGFHUGETPSLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS.ClH/c1-10(2)19-13-7-6-11(15)9-12(13)17-14(18)5-4-8-16-3;/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride?
N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 337.32 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119776592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).