1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea

C17H24N2OS2 — CID 47023834

IUPAC1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
SMILESCC(C)C(NC(=O)NC(c1cccs1)C(C)C)c1cccs1
InChIInChI=1S/C17H24N2OS2/c1-11(2)15(13-7-5-9-21-13)18-17(20)19-16(12(3)4)14-8-6-10-22-14/h5-12,15-16H,1-4H3,(H2,18,19,20)
InChIKeyDFFXTJXGNWRBDP-UHFFFAOYSA-N
MW336.53 g/mol
LogP5.20
Rot. Bonds6

About 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea

1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea (PubChem CID 47023834) has the molecular formula C17H24N2OS2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
PubChem CID47023834
Molecular FormulaC17H24N2OS2
Molecular Weight336.53 g/mol
Exact Mass336.13
IUPAC Name1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
SMILESCC(C)C(NC(=O)NC(c1cccs1)C(C)C)c1cccs1
InChIInChI=1S/C17H24N2OS2/c1-11(2)15(13-7-5-9-21-13)18-17(20)19-16(12(3)4)14-8-6-10-22-14/h5-12,15-16H,1-4H3,(H2,18,19,20)
InChIKeyDFFXTJXGNWRBDP-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.53
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide
CID 54968395
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]propanoic acid
CID 66177213
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea (CID 47023834) is 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea is CC(C)C(NC(=O)NC(c1cccs1)C(C)C)c1cccs1.
What is the InChIKey of 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea?
The InChIKey is DFFXTJXGNWRBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS2/c1-11(2)15(13-7-5-9-21-13)18-17(20)19-16(12(3)4)14-8-6-10-22-14/h5-12,15-16H,1-4H3,(H2,18,19,20).
What are the key properties of 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea?
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea has a molecular weight of 336.53 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 47023834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).