N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide

C17H25N3O3S — CID 1427967

IUPACN-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide
SMILESCOc1cc(NC(=S)NC2CCCCC2)c(OC)cc1NC(C)=O
InChIInChI=1S/C17H25N3O3S/c1-11(21)18-13-9-16(23-3)14(10-15(13)22-2)20-17(24)19-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,21)(H2,19,20,24)
InChIKeyDWGQCFLTEBKDAL-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.28
Rot. Bonds5

About N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide

N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide (PubChem CID 1427967) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide
PubChem CID1427967
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide
SMILESCOc1cc(NC(=S)NC2CCCCC2)c(OC)cc1NC(C)=O
InChIInChI=1S/C17H25N3O3S/c1-11(21)18-13-9-16(23-3)14(10-15(13)22-2)20-17(24)19-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,21)(H2,19,20,24)
InChIKeyDWGQCFLTEBKDAL-UHFFFAOYSA-N
XLogP3.28
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.28
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

1-(5-bromo-2-methoxyphenyl)-3-cyclohexylthiourea
CID 115588071
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
1-cyclohexyl-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 4846327
1-(5-chloro-2,4-dimethoxyphenyl)-3-cyclopropylthiourea
CID 7944268
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
methyl 4-(cyclohexylcarbamothioylamino)-3-hydroxybenzoate
CID 108783587
1-(2-chloro-4-methoxyphenyl)-3-cyclohexylthiourea
CID 5220485
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-cyclohexyl-3-(3-fluoro-4-methoxyphenyl)thiourea
CID 115583535

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide?
The IUPAC name of N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide (CID 1427967) is N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide?
The canonical SMILES for N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide is COc1cc(NC(=S)NC2CCCCC2)c(OC)cc1NC(C)=O.
What is the InChIKey of N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide?
The InChIKey is DWGQCFLTEBKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11(21)18-13-9-16(23-3)14(10-15(13)22-2)20-17(24)19-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,21)(H2,19,20,24).
What are the key properties of N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide?
N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide has a molecular weight of 351.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide is sourced from PubChem (CID 1427967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).