4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide

C14H18N2O3S — CID 806255

IUPAC4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C14H18N2O3S/c1-18-11-6-4-10(5-7-11)13(17)16-14(20)15-9-12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H2,15,16,17,20)/t12-/m0/s1
InChIKeyPTLPQNFQPNRIRQ-LBPRGKRZSA-N
MW294.38 g/mol
LogP1.48
Rot. Bonds4

About 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide

4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide (PubChem CID 806255) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
PubChem CID806255
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C14H18N2O3S/c1-18-11-6-4-10(5-7-11)13(17)16-14(20)15-9-12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H2,15,16,17,20)/t12-/m0/s1
InChIKeyPTLPQNFQPNRIRQ-LBPRGKRZSA-N
XLogP1.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide 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

4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
3-[(4-methoxybenzoyl)carbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42580174
N-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-4-pentoxybenzamide
CID 8714560
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40666280
3-butoxy-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 4957060
4-methoxy-N-[3-oxo-3-(oxolan-2-ylmethylamino)-1-phenylprop-1-en-2-yl]benzamide
CID 3118593
1-[[5-[(4-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 3461291
3-bromo-4-butoxy-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 4956054
N-[[(2S)-oxolan-2-yl]methyl]-2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 42427343
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide?
The IUPAC name of 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide (CID 806255) is 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide is COc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide?
The InChIKey is PTLPQNFQPNRIRQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-18-11-6-4-10(5-7-11)13(17)16-14(20)15-9-12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H2,15,16,17,20)/t12-/m0/s1.
What are the key properties of 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide?
4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide has a molecular weight of 294.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide is sourced from PubChem (CID 806255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).