4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide

C14H22N2O2S — CID 81306180

IUPAC4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide
SMILESCCCC(COC)Nc1cc(OC)ccc1C(N)=S
InChIInChI=1S/C14H22N2O2S/c1-4-5-10(9-17-2)16-13-8-11(18-3)6-7-12(13)14(15)19/h6-8,10,16H,4-5,9H2,1-3H3,(H2,15,19)
InChIKeyUUNBZYCOZFVAQP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.56
Rot. Bonds8

About 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide

4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide (PubChem CID 81306180) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide.

Molecular Properties

Compound Name4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide
PubChem CID81306180
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide
SMILESCCCC(COC)Nc1cc(OC)ccc1C(N)=S
InChIInChI=1S/C14H22N2O2S/c1-4-5-10(9-17-2)16-13-8-11(18-3)6-7-12(13)14(15)19/h6-8,10,16H,4-5,9H2,1-3H3,(H2,15,19)
InChIKeyUUNBZYCOZFVAQP-UHFFFAOYSA-N
XLogP2.56
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.56
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-2-(pentan-2-ylamino)benzenecarbothioamide
CID 81306230
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
2-(hexan-3-ylamino)-4-methylbenzenecarbothioamide
CID 62303796
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzenecarbothioamide
CID 81306093
4-methoxy-2-(2-propan-2-yloxyethylamino)benzenecarbothioamide
CID 104761774
2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
CID 83016164
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide
CID 81297363
2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
CID 81306826
4-methoxy-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenecarbothioamide
CID 81305583
4-methoxy-2-(4-methylanilino)benzenecarbothioamide
CID 81306668

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide?
The IUPAC name of 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide (CID 81306180) is 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide.
What is the SMILES notation for 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide?
The canonical SMILES for 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide is CCCC(COC)Nc1cc(OC)ccc1C(N)=S.
What is the InChIKey of 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide?
The InChIKey is UUNBZYCOZFVAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-5-10(9-17-2)16-13-8-11(18-3)6-7-12(13)14(15)19/h6-8,10,16H,4-5,9H2,1-3H3,(H2,15,19).
What are the key properties of 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide?
4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide has a molecular weight of 282.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide is sourced from PubChem (CID 81306180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).