5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide

C24H24BrN3OS — CID 40862470

IUPAC5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESC[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1
InChIInChI=1S/C24H24BrN3OS/c1-16-6-2-3-15-28(16)18-13-11-17(12-14-18)26-24(30)27-23(29)21-9-4-8-20-19(21)7-5-10-22(20)25/h4-5,7-14,16H,2-3,6,15H2,1H3,(H2,26,27,29,30)/t16-/m1/s1
InChIKeyLFPVLHAUTRUYFV-MRXNPFEDSA-N
MW482.45 g/mol
LogP6.11
Rot. Bonds3

About 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide

5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide (PubChem CID 40862470) has the molecular formula C24H24BrN3OS and a molecular weight of 482.45 g/mol. Its IUPAC name is 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
PubChem CID40862470
Molecular FormulaC24H24BrN3OS
Molecular Weight482.45 g/mol
Exact Mass481.08
IUPAC Name5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESC[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1
InChIInChI=1S/C24H24BrN3OS/c1-16-6-2-3-15-28(16)18-13-11-17(12-14-18)26-24(30)27-23(29)21-9-4-8-20-19(21)7-5-10-22(20)25/h4-5,7-14,16H,2-3,6,15H2,1H3,(H2,26,27,29,30)/t16-/m1/s1
InChIKeyLFPVLHAUTRUYFV-MRXNPFEDSA-N
XLogP6.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide 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

2-iodo-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17116463
4-iodo-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17116461
N-[[4-[(2S)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]butanamide
CID 40922060
2,2-dimethyl-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]propanamide
CID 26012819
5-bromo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 4501388
3,4,5-triethoxy-N-[[4-[(2S)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]benzamide
CID 26020558
3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
CID 40864687
N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]-4-phenylmethoxybenzamide
CID 26019281
5-bromo-N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 91674612
2-methyl-N-[4-(2-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 17102844
N-[[4-[(2S)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 40836847
5-bromo-N-[(3,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 2202028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide (CID 40862470) is 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide is C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1.
What is the InChIKey of 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is LFPVLHAUTRUYFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24BrN3OS/c1-16-6-2-3-15-28(16)18-13-11-17(12-14-18)26-24(30)27-23(29)21-9-4-8-20-19(21)7-5-10-22(20)25/h4-5,7-14,16H,2-3,6,15H2,1H3,(H2,26,27,29,30)/t16-/m1/s1.
What are the key properties of 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide?
5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 6.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 40862470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).