1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea

C20H24N2O4S — CID 100722362

IUPAC1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea
SMILESC[C@@H](O)c1ccc(C2(CNC(=O)Nc3ccc4c(c3)OCO4)CCCC2)s1
InChIInChI=1S/C20H24N2O4S/c1-13(23)17-6-7-18(27-17)20(8-2-3-9-20)11-21-19(24)22-14-4-5-15-16(10-14)26-12-25-15/h4-7,10,13,23H,2-3,8-9,11-12H2,1H3,(H2,21,22,24)/t13-/m1/s1
InChIKeyCHBYNZJQVBJHBT-CYBMUJFWSA-N
MW388.49 g/mol
LogP4.16
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea

1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea (PubChem CID 100722362) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea
PubChem CID100722362
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea
SMILESC[C@@H](O)c1ccc(C2(CNC(=O)Nc3ccc4c(c3)OCO4)CCCC2)s1
InChIInChI=1S/C20H24N2O4S/c1-13(23)17-6-7-18(27-17)20(8-2-3-9-20)11-21-19(24)22-14-4-5-15-16(10-14)26-12-25-15/h4-7,10,13,23H,2-3,8-9,11-12H2,1H3,(H2,21,22,24)/t13-/m1/s1
InChIKeyCHBYNZJQVBJHBT-CYBMUJFWSA-N
XLogP4.16
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea with MolForge

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Related Compounds

1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
CID 121179304
1-(1,3-benzodioxol-5-yl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94504177
3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methylpropanoic acid
CID 62669555
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
1-(1,3-benzodioxol-5-yl)-3-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]urea
CID 131703981
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-cyclohexyl-2-hydroxyethyl]urea
CID 95367592
2-(2-chloro-6-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121179089
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209
1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546597
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea (CID 100722362) is 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea is C[C@@H](O)c1ccc(C2(CNC(=O)Nc3ccc4c(c3)OCO4)CCCC2)s1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea?
The InChIKey is CHBYNZJQVBJHBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(23)17-6-7-18(27-17)20(8-2-3-9-20)11-21-19(24)22-14-4-5-15-16(10-14)26-12-25-15/h4-7,10,13,23H,2-3,8-9,11-12H2,1H3,(H2,21,22,24)/t13-/m1/s1.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea has a molecular weight of 388.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea is sourced from PubChem (CID 100722362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).