N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide

C18H13BrN2OS — CID 4197624

IUPACN-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1cccc(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2OS/c19-13-7-4-8-14(11-13)20-18(23)21-17(22)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H2,20,21,22,23)
InChIKeyRDUQJXKEOGTRAT-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.73
Rot. Bonds2

About N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide

N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide (PubChem CID 4197624) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide
PubChem CID4197624
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC NameN-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1cccc(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2OS/c19-13-7-4-8-14(11-13)20-18(23)21-17(22)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H2,20,21,22,23)
InChIKeyRDUQJXKEOGTRAT-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.73
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

N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 1342378
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
5-bromo-N-[(3-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17252486
N-[(4-chloro-3-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1342144
N-[4-(naphthalene-1-carbonylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 17109692
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 5038968
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1333473
2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939197
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 4577510
N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]naphthalene-1-carboxamide
CID 4302130
N-[(2-bromo-4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 22779174

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide (CID 4197624) is N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide is O=C(NC(=S)Nc1cccc(Br)c1)c1cccc2ccccc12.
What is the InChIKey of N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is RDUQJXKEOGTRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2OS/c19-13-7-4-8-14(11-13)20-18(23)21-17(22)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H2,20,21,22,23).
What are the key properties of N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide?
N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 4197624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).