N-carbamothioylbenzamide;naphthalene

C18H16N2OS — CID 20980035

IUPACN-carbamothioylbenzamide;naphthalene
SMILESNC(=S)NC(=O)c1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8N2OS/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(12)10-7(11)6-4-2-1-3-5-6/h1-8H;1-5H,(H3,9,10,11,12)
InChIKeyBXXRZLKRWSNNJC-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.50
Rot. Bonds1

About N-carbamothioylbenzamide;naphthalene

N-carbamothioylbenzamide;naphthalene (PubChem CID 20980035) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-carbamothioylbenzamide;naphthalene.

Molecular Properties

Compound NameN-carbamothioylbenzamide;naphthalene
PubChem CID20980035
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-carbamothioylbenzamide;naphthalene
SMILESNC(=S)NC(=O)c1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8N2OS/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(12)10-7(11)6-4-2-1-3-5-6/h1-8H;1-5H,(H3,9,10,11,12)
InChIKeyBXXRZLKRWSNNJC-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-carbamothioylbenzamide;naphthalene 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

benzamidothiourea
CID 781748
N-carbamoylbenzamide;urea
CID 157303801
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-carbamothioyl-4-methoxybenzamide
CID 14007083
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
carbamic acid;naphthalene
CID 162082147
N-carbamothioyl-2-chlorobenzamide
CID 3909253
N-methylbenzamide
CID 11954
N-(phenanthren-9-ylcarbamothioyl)benzamide
CID 1479750
5-(benzoylcarbamothioylamino)-3H-1,3-azaphosphole-4-carboxamide
CID 54016181
N-(cyclopropylcarbamothioyl)benzamide
CID 3620996
N-(3-amino-1-chloro-3-oxo-1-phenylprop-1-en-2-yl)benzamide
CID 141166419

Frequently Asked Questions

What is the IUPAC name of N-carbamothioylbenzamide;naphthalene?
The IUPAC name of N-carbamothioylbenzamide;naphthalene (CID 20980035) is N-carbamothioylbenzamide;naphthalene.
What is the SMILES notation for N-carbamothioylbenzamide;naphthalene?
The canonical SMILES for N-carbamothioylbenzamide;naphthalene is NC(=S)NC(=O)c1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of N-carbamothioylbenzamide;naphthalene?
The InChIKey is BXXRZLKRWSNNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H8N2OS/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(12)10-7(11)6-4-2-1-3-5-6/h1-8H;1-5H,(H3,9,10,11,12).
What are the key properties of N-carbamothioylbenzamide;naphthalene?
N-carbamothioylbenzamide;naphthalene has a molecular weight of 308.41 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioylbenzamide;naphthalene is sourced from PubChem (CID 20980035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).