3-carbamothioyl-N-(3-iodophenyl)benzamide

C14H11IN2OS — CID 28977640

IUPAC3-carbamothioyl-N-(3-iodophenyl)benzamide
SMILESNC(=S)c1cccc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C14H11IN2OS/c15-11-5-2-6-12(8-11)17-14(18)10-4-1-3-9(7-10)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyPXPPFCBWBVRTFK-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.18
Rot. Bonds3

About 3-carbamothioyl-N-(3-iodophenyl)benzamide

3-carbamothioyl-N-(3-iodophenyl)benzamide (PubChem CID 28977640) has the molecular formula C14H11IN2OS and a molecular weight of 382.23 g/mol. Its IUPAC name is 3-carbamothioyl-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-(3-iodophenyl)benzamide
PubChem CID28977640
Molecular FormulaC14H11IN2OS
Molecular Weight382.23 g/mol
Exact Mass381.96
IUPAC Name3-carbamothioyl-N-(3-iodophenyl)benzamide
SMILESNC(=S)c1cccc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C14H11IN2OS/c15-11-5-2-6-12(8-11)17-14(18)10-4-1-3-9(7-10)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyPXPPFCBWBVRTFK-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
5-benzamido-1-N,3-N-bis(3-iodophenyl)benzene-1,3-dicarboxamide
CID 3501081
N-(3-carbamothioylphenyl)-3,4-dihydroxybenzamide
CID 107728355
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
3-carbamothioyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812174
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
3-carbamothioyl-N-pyrimidin-5-ylbenzamide
CID 107588773
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-(3-iodophenyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-(3-iodophenyl)benzamide (CID 28977640) is 3-carbamothioyl-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-(3-iodophenyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-(3-iodophenyl)benzamide is NC(=S)c1cccc(C(=O)Nc2cccc(I)c2)c1.
What is the InChIKey of 3-carbamothioyl-N-(3-iodophenyl)benzamide?
The InChIKey is PXPPFCBWBVRTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2OS/c15-11-5-2-6-12(8-11)17-14(18)10-4-1-3-9(7-10)13(16)19/h1-8H,(H2,16,19)(H,17,18).
What are the key properties of 3-carbamothioyl-N-(3-iodophenyl)benzamide?
3-carbamothioyl-N-(3-iodophenyl)benzamide has a molecular weight of 382.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 28977640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).