4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide

C19H23N5O2S — CID 24788094

IUPAC4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide
SMILESCN(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23N5O2S/c1-23(2)15-9-5-13(6-10-15)17(25)20-19(27)22-21-18(26)14-7-11-16(12-8-14)24(3)4/h5-12H,1-4H3,(H,21,26)(H2,20,22,25,27)
InChIKeyNGECTMHFFZYZDQ-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.77
Rot. Bonds4

About 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide

4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide (PubChem CID 24788094) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide
PubChem CID24788094
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide
SMILESCN(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23N5O2S/c1-23(2)15-9-5-13(6-10-15)17(25)20-19(27)22-21-18(26)14-7-11-16(12-8-14)24(3)4/h5-12H,1-4H3,(H,21,26)(H2,20,22,25,27)
InChIKeyNGECTMHFFZYZDQ-UHFFFAOYSA-N
XLogP1.77
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide 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

4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N-[[(4-hydroxybenzoyl)amino]carbamothioyl]-4-nitrobenzamide
CID 5089043
N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide
CID 4694656
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxybenzamide
CID 4949262
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-4-nitrobenzamide
CID 5089049
4-tert-butyl-N-[4-[[(4-fluorobenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 5088860
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-iodo-4-methylbenzamide
CID 3344527

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide (CID 24788094) is 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide is CN(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide?
The InChIKey is NGECTMHFFZYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-23(2)15-9-5-13(6-10-15)17(25)20-19(27)22-21-18(26)14-7-11-16(12-8-14)24(3)4/h5-12H,1-4H3,(H,21,26)(H2,20,22,25,27).
What are the key properties of 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide?
4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide is sourced from PubChem (CID 24788094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).