N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide

C20H25N3O2S — CID 1295574

IUPACN-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1
InChIInChI=1S/C20H25N3O2S/c1-5-23(6-2)16-12-10-15(11-13-16)21-20(26)22-19(24)17-9-7-8-14(3)18(17)25-4/h7-13H,5-6H2,1-4H3,(H2,21,22,24,26)
InChIKeyZGAMNDGFAVTZHC-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.98
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide

N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide (PubChem CID 1295574) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
PubChem CID1295574
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1
InChIInChI=1S/C20H25N3O2S/c1-5-23(6-2)16-12-10-15(11-13-16)21-20(26)22-19(24)17-9-7-8-14(3)18(17)25-4/h7-13H,5-6H2,1-4H3,(H2,21,22,24,26)
InChIKeyZGAMNDGFAVTZHC-UHFFFAOYSA-N
XLogP3.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17316885
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17103583
N-[[4-(diethylamino)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1340149
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628362
N-[[4-(diethylamino)phenyl]carbamothioyl]-3-fluorobenzamide
CID 881518
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1259324
2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 2995398
N-(benzylcarbamothioyl)-2-methoxy-3-methylbenzamide
CID 17100458
N-[[4-(diethylamino)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide
CID 3486164
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide (CID 1295574) is N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide is CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide?
The InChIKey is ZGAMNDGFAVTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-5-23(6-2)16-12-10-15(11-13-16)21-20(26)22-19(24)17-9-7-8-14(3)18(17)25-4/h7-13H,5-6H2,1-4H3,(H2,21,22,24,26).
What are the key properties of N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide?
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide has a molecular weight of 371.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 1295574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).