1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea

C17H25FN2O2S — CID 75454718

IUPAC1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea
SMILESCC(CS(C)=O)NC(=O)NC(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C17H25FN2O2S/c1-12(11-23(2)22)19-17(21)20-16(13-6-3-4-7-13)14-8-5-9-15(18)10-14/h5,8-10,12-13,16H,3-4,6-7,11H2,1-2H3,(H2,19,20,21)
InChIKeyCFXZFLGOIRFDHD-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.12
Rot. Bonds6

About 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea

1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea (PubChem CID 75454718) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea
PubChem CID75454718
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea
SMILESCC(CS(C)=O)NC(=O)NC(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C17H25FN2O2S/c1-12(11-23(2)22)19-17(21)20-16(13-6-3-4-7-13)14-8-5-9-15(18)10-14/h5,8-10,12-13,16H,3-4,6-7,11H2,1-2H3,(H2,19,20,21)
InChIKeyCFXZFLGOIRFDHD-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119810349
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119810351
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 76754906
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea?
The IUPAC name of 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea (CID 75454718) is 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea.
What is the SMILES notation for 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea?
The canonical SMILES for 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea is CC(CS(C)=O)NC(=O)NC(c1cccc(F)c1)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea?
The InChIKey is CFXZFLGOIRFDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-12(11-23(2)22)19-17(21)20-16(13-6-3-4-7-13)14-8-5-9-15(18)10-14/h5,8-10,12-13,16H,3-4,6-7,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea?
1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea has a molecular weight of 340.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl-(3-fluorophenyl)methyl]-3-(1-methylsulfinylpropan-2-yl)urea is sourced from PubChem (CID 75454718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).