1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea

C15H26N2OS — CID 71887667

IUPAC1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(C)CC(C)N(C)C(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C15H26N2OS/c1-11(2)8-13(4)17(5)15(18)16-12(3)9-14-6-7-19-10-14/h6-7,10-13H,8-9H2,1-5H3,(H,16,18)
InChIKeyNFHPWFLPDXWPQL-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.76
Rot. Bonds6

About 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea

1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea (PubChem CID 71887667) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
PubChem CID71887667
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(C)CC(C)N(C)C(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C15H26N2OS/c1-11(2)8-13(4)17(5)15(18)16-12(3)9-14-6-7-19-10-14/h6-7,10-13H,8-9H2,1-5H3,(H,16,18)
InChIKeyNFHPWFLPDXWPQL-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The IUPAC name of 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea (CID 71887667) is 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea.
What is the SMILES notation for 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The canonical SMILES for 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea is CC(C)CC(C)N(C)C(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The InChIKey is NFHPWFLPDXWPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(2)8-13(4)17(5)15(18)16-12(3)9-14-6-7-19-10-14/h6-7,10-13H,8-9H2,1-5H3,(H,16,18).
What are the key properties of 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea has a molecular weight of 282.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylpentan-2-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea is sourced from PubChem (CID 71887667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).