N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide

C22H22N2O2S — CID 1344927

IUPACN-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESCC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O2S/c1-3-14(2)16-11-12-20(25)19(13-16)23-22(27)24-21(26)18-10-6-8-15-7-4-5-9-17(15)18/h4-14,25H,3H2,1-2H3,(H2,23,24,26,27)/t14-/m1/s1
InChIKeySZQNVBJLDVMCLV-CQSZACIVSA-N
MW378.50 g/mol
LogP5.19
Rot. Bonds4

About N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide

N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide (PubChem CID 1344927) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide
PubChem CID1344927
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESCC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O2S/c1-3-14(2)16-11-12-20(25)19(13-16)23-22(27)24-21(26)18-10-6-8-15-7-4-5-9-17(15)18/h4-14,25H,3H2,1-2H3,(H2,23,24,26,27)/t14-/m1/s1
InChIKeySZQNVBJLDVMCLV-CQSZACIVSA-N
XLogP5.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]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

N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 1396065
N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 1227248
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099998
3,5-dibromo-N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 17113668
3,5-dibromo-N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 26019751
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 2904785
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 2904906
(E)-N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 884603
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-iodobenzamide
CID 1344733
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide (CID 1344927) is N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide is CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is SZQNVBJLDVMCLV-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-3-14(2)16-11-12-20(25)19(13-16)23-22(27)24-21(26)18-10-6-8-15-7-4-5-9-17(15)18/h4-14,25H,3H2,1-2H3,(H2,23,24,26,27)/t14-/m1/s1.
What are the key properties of N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide?
N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 5.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1344927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).