N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide

C15H23N3OS — CID 8684090

IUPACN,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=S)NC(C)C)cc1
InChIInChI=1S/C15H23N3OS/c1-5-18(6-2)14(19)12-7-9-13(10-8-12)17-15(20)16-11(3)4/h7-11H,5-6H2,1-4H3,(H2,16,17,20)
InChIKeyJRFNURKXZKPZLZ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.86
Rot. Bonds5

About N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide

N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide (PubChem CID 8684090) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
PubChem CID8684090
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=S)NC(C)C)cc1
InChIInChI=1S/C15H23N3OS/c1-5-18(6-2)14(19)12-7-9-13(10-8-12)17-15(20)16-11(3)4/h7-11H,5-6H2,1-4H3,(H2,16,17,20)
InChIKeyJRFNURKXZKPZLZ-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-[4-(propan-2-ylcarbamothioylamino)phenyl]thiourea
CID 163289921
4-[(4-chlorobenzoyl)carbamothioylamino]-N,N-diethylbenzamide
CID 17197077
N,N-dimethyl-4-[[(2S)-pentan-2-yl]carbamothioylamino]benzamide
CID 100610412
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
propan-2-yl 4-(propan-2-ylcarbamothioylamino)benzoate
CID 8654493
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
CID 8616060
2-chloro-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17197076
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide?
The IUPAC name of N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide (CID 8684090) is N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide?
The canonical SMILES for N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide is CCN(CC)C(=O)c1ccc(NC(=S)NC(C)C)cc1.
What is the InChIKey of N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide?
The InChIKey is JRFNURKXZKPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-18(6-2)14(19)12-7-9-13(10-8-12)17-15(20)16-11(3)4/h7-11H,5-6H2,1-4H3,(H2,16,17,20).
What are the key properties of N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide?
N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide has a molecular weight of 293.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide is sourced from PubChem (CID 8684090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).