N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide

C19H24ClN5OS — CID 15954892

IUPACN-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=S)Nc2ccc(NCCN(C)C)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN5OS/c1-13(26)22-14-4-6-15(7-5-14)23-19(27)24-16-8-9-18(17(20)12-16)21-10-11-25(2)3/h4-9,12,21H,10-11H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyFIHKXDPQXUEFBO-UHFFFAOYSA-N
MW405.96 g/mol
LogP4.08
Rot. Bonds7

About N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide

N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide (PubChem CID 15954892) has the molecular formula C19H24ClN5OS and a molecular weight of 405.96 g/mol. Its IUPAC name is N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide
PubChem CID15954892
Molecular FormulaC19H24ClN5OS
Molecular Weight405.96 g/mol
Exact Mass405.14
IUPAC NameN-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=S)Nc2ccc(NCCN(C)C)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN5OS/c1-13(26)22-14-4-6-15(7-5-14)23-19(27)24-16-8-9-18(17(20)12-16)21-10-11-25(2)3/h4-9,12,21H,10-11H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyFIHKXDPQXUEFBO-UHFFFAOYSA-N
XLogP4.08
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide 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-[4-[[3-chloro-4-[2-hydroxyethyl(methyl)amino]phenyl]carbamothioylamino]phenyl]acetamide
CID 15954881
N-[4-[(4-bromo-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954823
N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954830
N-[4-[(3,5-dichloro-4-hydroxy-2-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 15954944
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide
CID 175893681
N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 3608346
N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 71857332
N-[4-[(2,4-dichlorophenyl)carbamothioylamino]phenyl]-N-methylacetamide
CID 19649161
1,3-bis(3,4-dichlorophenyl)thiourea
CID 4763349
N-[4-[[3-chloro-4-[4-iminopentan-2-yl(methyl)amino]phenyl]carbamothioylamino]phenyl]acetamide
CID 174385739
2-[4-[(4-acetamidophenyl)carbamothioylamino]-2,6-dichlorophenoxy]acetic acid
CID 15907989

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide (CID 15954892) is N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=S)Nc2ccc(NCCN(C)C)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide?
The InChIKey is FIHKXDPQXUEFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5OS/c1-13(26)22-14-4-6-15(7-5-14)23-19(27)24-16-8-9-18(17(20)12-16)21-10-11-25(2)3/h4-9,12,21H,10-11H2,1-3H3,(H,22,26)(H2,23,24,27).
What are the key properties of N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide?
N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide has a molecular weight of 405.96 g/mol, XLogP of 4.08, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide is sourced from PubChem (CID 15954892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).