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

C18H21N3O3S — CID 8660271

IUPACN-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
SMILESCCNC(=S)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H21N3O3S/c1-4-19-18(25)21-14-11-15(23-2)13(10-16(14)24-3)20-17(22)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,22)(H2,19,21,25)
InChIKeyMWMYYZBVDJHWFC-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.26
Rot. Bonds6

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

N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide (PubChem CID 8660271) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
PubChem CID8660271
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
SMILESCCNC(=S)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H21N3O3S/c1-4-19-18(25)21-14-11-15(23-2)13(10-16(14)24-3)20-17(22)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,22)(H2,19,21,25)
InChIKeyMWMYYZBVDJHWFC-UHFFFAOYSA-N
XLogP3.26
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dimethoxy-4-(prop-2-enylcarbamothioylamino)phenyl]benzamide
CID 8660268
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-(benzylcarbamothioylamino)-2,5-dimethoxyphenyl]-4-bromobenzamide
CID 1428090
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-[2,5-dimethoxy-4-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]phenyl]benzamide
CID 8660288
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
CID 4035607
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
CID 19180504
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide (CID 8660271) is N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide is CCNC(=S)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide?
The InChIKey is MWMYYZBVDJHWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-4-19-18(25)21-14-11-15(23-2)13(10-16(14)24-3)20-17(22)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,22)(H2,19,21,25).
What are the key properties of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide?
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 8660271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).