1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea

C23H32N2OS — CID 14977530

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C23H32N2OS/c1-16(2)19-8-7-9-20(17(3)4)21(19)25-22(26)24-15-23(11-5-6-12-23)18-10-13-27-14-18/h7-10,13-14,16-17H,5-6,11-12,15H2,1-4H3,(H2,24,25,26)
InChIKeyRTGUJLMUVJACTC-UHFFFAOYSA-N
MW384.59 g/mol
LogP6.63
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea (PubChem CID 14977530) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea
PubChem CID14977530
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C23H32N2OS/c1-16(2)19-8-7-9-20(17(3)4)21(19)25-22(26)24-15-23(11-5-6-12-23)18-10-13-27-14-18/h7-10,13-14,16-17H,5-6,11-12,15H2,1-4H3,(H2,24,25,26)
InChIKeyRTGUJLMUVJACTC-UHFFFAOYSA-N
XLogP6.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea (CID 14977530) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccsc2)CCCC1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
The InChIKey is RTGUJLMUVJACTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c1-16(2)19-8-7-9-20(17(3)4)21(19)25-22(26)24-15-23(11-5-6-12-23)18-10-13-27-14-18/h7-10,13-14,16-17H,5-6,11-12,15H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea has a molecular weight of 384.59 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 14977530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).