N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide

C16H18N2O2S2 — CID 17074348

IUPACN-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-11(2)10-20-13-7-4-3-6-12(13)17-16(21)18-15(19)14-8-5-9-22-14/h3-9,11H,10H2,1-2H3,(H2,17,18,19,21)
InChIKeyAIEZRMVLBHNDIT-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.91
Rot. Bonds5

About N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 17074348) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID17074348
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-11(2)10-20-13-7-4-3-6-12(13)17-16(21)18-15(19)14-8-5-9-22-14/h3-9,11H,10H2,1-2H3,(H2,17,18,19,21)
InChIKeyAIEZRMVLBHNDIT-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074352
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17113367
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide
CID 17074345
5-bromo-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17094596
N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17170314
N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945953
1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 17074218
5-bromo-2-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074427
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17074414
3-bromo-4-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074107
N-[2-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55887676
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 17074348) is N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide is CC(C)COc1ccccc1NC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is AIEZRMVLBHNDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-11(2)10-20-13-7-4-3-6-12(13)17-16(21)18-15(19)14-8-5-9-22-14/h3-9,11H,10H2,1-2H3,(H2,17,18,19,21).
What are the key properties of N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 17074348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).