2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide

C14H21NO3S — CID 97355222

IUPAC2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide
SMILESC[C@](O)(CNC(=O)CSC1CCCC1)c1ccco1
InChIInChI=1S/C14H21NO3S/c1-14(17,12-7-4-8-18-12)10-15-13(16)9-19-11-5-2-3-6-11/h4,7-8,11,17H,2-3,5-6,9-10H2,1H3,(H,15,16)/t14-/m0/s1
InChIKeyBMRRVHZYKTZXHU-AWEZNQCLSA-N
MW283.39 g/mol
LogP2.28
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide

2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide (PubChem CID 97355222) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide
PubChem CID97355222
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide
SMILESC[C@](O)(CNC(=O)CSC1CCCC1)c1ccco1
InChIInChI=1S/C14H21NO3S/c1-14(17,12-7-4-8-18-12)10-15-13(16)9-19-11-5-2-3-6-11/h4,7-8,11,17H,2-3,5-6,9-10H2,1H3,(H,15,16)/t14-/m0/s1
InChIKeyBMRRVHZYKTZXHU-AWEZNQCLSA-N
XLogP2.28
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816644
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976425
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide
CID 71806235
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-3-carboxamide
CID 111482746
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111482780
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide (CID 97355222) is 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide is C[C@](O)(CNC(=O)CSC1CCCC1)c1ccco1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The InChIKey is BMRRVHZYKTZXHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(17,12-7-4-8-18-12)10-15-13(16)9-19-11-5-2-3-6-11/h4,7-8,11,17H,2-3,5-6,9-10H2,1H3,(H,15,16)/t14-/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide?
2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide has a molecular weight of 283.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 97355222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).