3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea

C19H28N2OS — CID 6624810

IUPAC3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
SMILESCCCN(Cc1cccs1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2OS/c1-2-5-21(13-17-4-3-6-23-17)18(22)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h3-4,6,14-16H,2,5,7-13H2,1H3,(H,20,22)
InChIKeyRTZFXQXGVRLPPI-UHFFFAOYSA-N
MW332.51 g/mol
LogP4.64
Rot. Bonds5

About 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea

3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 6624810) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
PubChem CID6624810
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
SMILESCCCN(Cc1cccs1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2OS/c1-2-5-21(13-17-4-3-6-23-17)18(22)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h3-4,6,14-16H,2,5,7-13H2,1H3,(H,20,22)
InChIKeyRTZFXQXGVRLPPI-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4029663
2-[1-adamantylcarbamoyl(3-ethoxypropyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 5034342
2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 3995283
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 22510485
2-[1-adamantylcarbamoyl(butan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3668947
N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53350955
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
N-(1-adamantyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839728
4-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292955
3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
CID 61233632
N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678198

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea (CID 6624810) is 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea is CCCN(Cc1cccs1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is RTZFXQXGVRLPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-2-5-21(13-17-4-3-6-23-17)18(22)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h3-4,6,14-16H,2,5,7-13H2,1H3,(H,20,22).
What are the key properties of 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 332.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 6624810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).