N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide

C24H23N3O3S — CID 17251773

IUPACN-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-3-30-21-11-7-6-10-20(21)23(29)27-24(31)26-18-14-12-17(13-15-18)25-22(28)19-9-5-4-8-16(19)2/h4-15H,3H2,1-2H3,(H,25,28)(H2,26,27,29,31)
InChIKeyQDZWDGAMFOOKPN-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.77
Rot. Bonds6

About N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide

N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide (PubChem CID 17251773) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
PubChem CID17251773
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-3-30-21-11-7-6-10-20(21)23(29)27-24(31)26-18-14-12-17(13-15-18)25-22(28)19-9-5-4-8-16(19)2/h4-15H,3H2,1-2H3,(H,25,28)(H2,26,27,29,31)
InChIKeyQDZWDGAMFOOKPN-UHFFFAOYSA-N
XLogP4.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
CID 4926674
N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17202756
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926667
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749
2-ethoxy-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4926948
N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
CID 17235160
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide (CID 17251773) is N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide is CCOc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide?
The InChIKey is QDZWDGAMFOOKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-30-21-11-7-6-10-20(21)23(29)27-24(31)26-18-14-12-17(13-15-18)25-22(28)19-9-5-4-8-16(19)2/h4-15H,3H2,1-2H3,(H,25,28)(H2,26,27,29,31).
What are the key properties of N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide?
N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide has a molecular weight of 433.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 17251773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).