N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

C19H22N2O3S — CID 4948889

IUPACN-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)11-12-24-17-9-3-14(4-10-17)18(23)21-19(25)20-15-5-7-16(22)8-6-15/h3-10,13,22H,11-12H2,1-2H3,(H2,20,21,23,25)
InChIKeyXLEWGNFCVPQUJG-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide (PubChem CID 4948889) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
PubChem CID4948889
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)11-12-24-17-9-3-14(4-10-17)18(23)21-19(25)20-15-5-7-16(22)8-6-15/h3-10,13,22H,11-12H2,1-2H3,(H2,20,21,23,25)
InChIKeyXLEWGNFCVPQUJG-UHFFFAOYSA-N
XLogP3.94
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4950008
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4950091
methyl 4-[[4-(3-methylbutoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178604
4-heptoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4951029
4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
N-[(3-methoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949028
4-(2-methoxyethoxy)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 17097442
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949545
3-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide
CID 26161014
4-(3-methylbutoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4949606
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17097411
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-propoxybenzamide
CID 4960395

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide (CID 4948889) is N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide?
The InChIKey is XLEWGNFCVPQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(2)11-12-24-17-9-3-14(4-10-17)18(23)21-19(25)20-15-5-7-16(22)8-6-15/h3-10,13,22H,11-12H2,1-2H3,(H2,20,21,23,25).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide?
N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4948889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).