N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

C20H24N2O4S — CID 4937376

IUPACN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(OC)c(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-13(2)12-26-15-7-5-14(6-8-15)19(23)22-20(27)21-17-11-16(24-3)9-10-18(17)25-4/h5-11,13H,12H2,1-4H3,(H2,21,22,23,27)
InChIKeyBCDPZGHNIPKDQW-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.87
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide (PubChem CID 4937376) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
PubChem CID4937376
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(OC)c(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-13(2)12-26-15-7-5-14(6-8-15)19(23)22-20(27)21-17-11-16(24-3)9-10-18(17)25-4/h5-11,13H,12H2,1-4H3,(H2,21,22,23,27)
InChIKeyBCDPZGHNIPKDQW-UHFFFAOYSA-N
XLogP3.87
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326
4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17112879
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
4-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 54792073
4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074352
3,4,5-trimethoxy-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide
CID 4930269
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 28701519
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142646
N-methyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17354128
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22776079
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17114635

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide (CID 4937376) is N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide is COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is BCDPZGHNIPKDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(2)12-26-15-7-5-14(6-8-15)19(23)22-20(27)21-17-11-16(24-3)9-10-18(17)25-4/h5-11,13H,12H2,1-4H3,(H2,21,22,23,27).
What are the key properties of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4937376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).