methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate

C11H16N2O4S — CID 75398054

IUPACmethyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate
SMILESCOCC(C)NC(=O)Nc1cscc1C(=O)OC
InChIInChI=1S/C11H16N2O4S/c1-7(4-16-2)12-11(15)13-9-6-18-5-8(9)10(14)17-3/h5-7H,4H2,1-3H3,(H2,12,13,15)
InChIKeyAAKPAVPVGAHMPE-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.69
Rot. Bonds5

About methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate

methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate (PubChem CID 75398054) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate
PubChem CID75398054
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate
SMILESCOCC(C)NC(=O)Nc1cscc1C(=O)OC
InChIInChI=1S/C11H16N2O4S/c1-7(4-16-2)12-11(15)13-9-6-18-5-8(9)10(14)17-3/h5-7H,4H2,1-3H3,(H2,12,13,15)
InChIKeyAAKPAVPVGAHMPE-UHFFFAOYSA-N
XLogP1.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024683
3-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbenzoic acid
CID 62948247
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
1-(2-bromo-4,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60569611
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
1-(2-chloro-4-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51074651
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483155
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate (CID 75398054) is methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate is COCC(C)NC(=O)Nc1cscc1C(=O)OC.
What is the InChIKey of methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate?
The InChIKey is AAKPAVPVGAHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(4-16-2)12-11(15)13-9-6-18-5-8(9)10(14)17-3/h5-7H,4H2,1-3H3,(H2,12,13,15).
What are the key properties of methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate?
methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 75398054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).