N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide

C16H17N3OS — CID 43329185

IUPACN-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C16H17N3OS/c1-19(2)14-5-3-4-12(10-14)16(20)18-13-8-6-11(7-9-13)15(17)21/h3-10H,1-2H3,(H2,17,21)(H,18,20)
InChIKeyZTSULVAAPIAKPF-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.64
Rot. Bonds4

About N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide

N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide (PubChem CID 43329185) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
PubChem CID43329185
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C16H17N3OS/c1-19(2)14-5-3-4-12(10-14)16(20)18-13-8-6-11(7-9-13)15(17)21/h3-10H,1-2H3,(H2,17,21)(H,18,20)
InChIKeyZTSULVAAPIAKPF-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide
CID 174393295
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
CID 26070602
3-(dimethylamino)-N-(1H-indol-5-yl)benzamide
CID 110744980

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide (CID 43329185) is N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2ccc(C(N)=S)cc2)c1.
What is the InChIKey of N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide?
The InChIKey is ZTSULVAAPIAKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-19(2)14-5-3-4-12(10-14)16(20)18-13-8-6-11(7-9-13)15(17)21/h3-10H,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide?
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide has a molecular weight of 299.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 43329185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).