1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea

C20H26N2O2S — CID 121179304

IUPAC1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-14-5-7-16(8-6-14)22-19(24)21-13-20(11-3-4-12-20)18-10-9-17(25-18)15(2)23/h5-10,15,23H,3-4,11-13H2,1-2H3,(H2,21,22,24)
InChIKeyBHQKCAJHOAYWBR-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.74
Rot. Bonds5

About 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea

1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea (PubChem CID 121179304) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
PubChem CID121179304
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-14-5-7-16(8-6-14)22-19(24)21-13-20(11-3-4-12-20)18-10-9-17(25-18)15(2)23/h5-10,15,23H,3-4,11-13H2,1-2H3,(H2,21,22,24)
InChIKeyBHQKCAJHOAYWBR-UHFFFAOYSA-N
XLogP4.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea (CID 121179304) is 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1.
What is the InChIKey of 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea?
The InChIKey is BHQKCAJHOAYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14-5-7-16(8-6-14)22-19(24)21-13-20(11-3-4-12-20)18-10-9-17(25-18)15(2)23/h5-10,15,23H,3-4,11-13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea?
1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea has a molecular weight of 358.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 121179304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).