N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide

C18H27NO3S — CID 111538834

IUPACN-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(C)(C)S(=O)Cc1cccc(NC(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C18H27NO3S/c1-17(2,3)23(22)13-14-7-6-8-15(11-14)19-16(20)12-18(21)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-13H2,1-3H3,(H,19,20)
InChIKeyJTDJKBPKFUVTAX-UHFFFAOYSA-N
MW337.48 g/mol
LogP3.37
Rot. Bonds5

About N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide

N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111538834) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111538834
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC NameN-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(C)(C)S(=O)Cc1cccc(NC(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C18H27NO3S/c1-17(2,3)23(22)13-14-7-6-8-15(11-14)19-16(20)12-18(21)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-13H2,1-3H3,(H,19,20)
InChIKeyJTDJKBPKFUVTAX-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[3-(tert-butylsulfinylmethyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 119135340
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510
2-(4-aminophenyl)-N-[3-(tert-butylsulfinylmethyl)phenyl]acetamide;hydrochloride
CID 119789984
(2S)-2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide
CID 119327234
2-(1-hydroxycyclopentyl)-N-(3-iodophenyl)acetamide
CID 111432130
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
3-(2-aminophenyl)-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide;hydrochloride
CID 120610897
N-[3-(tert-butylsulfinylmethyl)phenyl]-3-(carbamoylamino)benzamide
CID 119134253
1-[3-[[(R)-tert-butylsulfinyl]methyl]phenyl]-3-[(1R)-1-cyclopropylethyl]urea
CID 95629055
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256
2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
CID 119327254
1-[3-(tert-butylsulfinylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754902

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111538834) is N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is CC(C)(C)S(=O)Cc1cccc(NC(=O)CC2(O)CCCC2)c1.
What is the InChIKey of N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is JTDJKBPKFUVTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-17(2,3)23(22)13-14-7-6-8-15(11-14)19-16(20)12-18(21)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 337.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111538834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).