N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide

C11H15ClN2OS — CID 176555947

IUPACN-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(CS)c(Cl)c1
InChIInChI=1S/C11H15ClN2OS/c1-7(13-2)11(15)14-9-4-3-8(6-16)10(12)5-9/h3-5,7,13,16H,6H2,1-2H3,(H,14,15)
InChIKeySQDVZDZONFYNGA-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.32
Rot. Bonds4

About N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide

N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide (PubChem CID 176555947) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide
PubChem CID176555947
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC NameN-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(CS)c(Cl)c1
InChIInChI=1S/C11H15ClN2OS/c1-7(13-2)11(15)14-9-4-3-8(6-16)10(12)5-9/h3-5,7,13,16H,6H2,1-2H3,(H,14,15)
InChIKeySQDVZDZONFYNGA-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide 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

2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
CID 62637660
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358486
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide?
The IUPAC name of N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide (CID 176555947) is N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(CS)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide?
The InChIKey is SQDVZDZONFYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7(13-2)11(15)14-9-4-3-8(6-16)10(12)5-9/h3-5,7,13,16H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide?
N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide has a molecular weight of 258.77 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(sulfanylmethyl)phenyl]-2-(methylamino)propanamide is sourced from PubChem (CID 176555947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).