1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea

C12H14N2O2S — CID 143739716

IUPAC1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea
SMILESCNC(=O)Nc1sc2c(OC)cccc2c1C
InChIInChI=1S/C12H14N2O2S/c1-7-8-5-4-6-9(16-3)10(8)17-11(7)14-12(15)13-2/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyYNZWCLBIHQNBDN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.97
Rot. Bonds2

About 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea

1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea (PubChem CID 143739716) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea
PubChem CID143739716
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea
SMILESCNC(=O)Nc1sc2c(OC)cccc2c1C
InChIInChI=1S/C12H14N2O2S/c1-7-8-5-4-6-9(16-3)10(8)17-11(7)14-12(15)13-2/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyYNZWCLBIHQNBDN-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1'-[7-methoxy-2-(methylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-3-methylurea
CID 59312149
2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
CID 83825002
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 81049134
3-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)sulfonylamino]cyclohexa-2,4-diene-1-carboxylic acid
CID 66806578
3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide
CID 16656289
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
CID 115168935
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 104843379

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea?
The IUPAC name of 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea (CID 143739716) is 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea.
What is the SMILES notation for 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea?
The canonical SMILES for 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea is CNC(=O)Nc1sc2c(OC)cccc2c1C.
What is the InChIKey of 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea?
The InChIKey is YNZWCLBIHQNBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7-8-5-4-6-9(16-3)10(8)17-11(7)14-12(15)13-2/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea?
1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea has a molecular weight of 250.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea is sourced from PubChem (CID 143739716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).