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

C23H32N2OS — CID 14977529

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccs2)CCCC1
InChIInChI=1S/C23H32N2OS/c1-16(2)18-9-7-10-19(17(3)4)21(18)25-22(26)24-15-23(12-5-6-13-23)20-11-8-14-27-20/h7-11,14,16-17H,5-6,12-13,15H2,1-4H3,(H2,24,25,26)
InChIKeyDTZGMMDTYNRWGM-UHFFFAOYSA-N
MW384.59 g/mol
LogP6.63
Rot. Bonds6

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

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea (PubChem CID 14977529) 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-2-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea
PubChem CID14977529
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccs2)CCCC1
InChIInChI=1S/C23H32N2OS/c1-16(2)18-9-7-10-19(17(3)4)21(18)25-22(26)24-15-23(12-5-6-13-23)20-11-8-14-27-20/h7-11,14,16-17H,5-6,12-13,15H2,1-4H3,(H2,24,25,26)
InChIKeyDTZGMMDTYNRWGM-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

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

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Related Compounds

1-Cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10742043
1-Cycloheptyl-1-[(4-thiophen-2-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10813286
1-Cycloheptyl-1-[(4-phenylthiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10837117
1-Cycloheptyl-1-[(5-phenylthiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797651
1-(2,6-Diisopropyl-phenyl)-3-{2-phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethyl}-urea
CID 44297198
1-(2,6-Dimethyl-phenyl)-3-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-urea
CID 3217858
1-(2,6-Diisopropyl-phenyl)-3-(1-thiophen-3-yl-cyclopentylmethyl)-urea
CID 14977530
N-cyclopentyl-N'-(2,6-dimethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4349002
1-(3,5-Dimethylphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016710
N-(2-cyanoethyl)-N'-(3,5-dimethylphenyl)-N-(2-thienylmethyl)urea
CID 2812841
1-(2-Methylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 2823052
1-Heptyl-1-(thiophen-2-ylmethyl)-3-(2,4,5-trimethylphenyl)urea
CID 15137702

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea (CID 14977529) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccs2)CCCC1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea?
The InChIKey is DTZGMMDTYNRWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c1-16(2)18-9-7-10-19(17(3)4)21(18)25-22(26)24-15-23(12-5-6-13-23)20-11-8-14-27-20/h7-11,14,16-17H,5-6,12-13,15H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-ylcyclopentyl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-thiophen-2-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-2-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 14977529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).