N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide

C12H19NO3S — CID 97007740

IUPACN-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide
SMILESCC(C)(C)[S@@](=O)CCNC(=O)Cc1ccco1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)17(15)8-6-13-11(14)9-10-5-4-7-16-10/h4-5,7H,6,8-9H2,1-3H3,(H,13,14)/t17-/m0/s1
InChIKeyINVRTUJJGPEONV-KRWDZBQOSA-N
MW257.35 g/mol
LogP1.49
Rot. Bonds5

About N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide

N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide (PubChem CID 97007740) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide
PubChem CID97007740
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide
SMILESCC(C)(C)[S@@](=O)CCNC(=O)Cc1ccco1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)17(15)8-6-13-11(14)9-10-5-4-7-16-10/h4-5,7H,6,8-9H2,1-3H3,(H,13,14)/t17-/m0/s1
InChIKeyINVRTUJJGPEONV-KRWDZBQOSA-N
XLogP1.49
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
ethyl 2-[[2-(furan-2-yl)acetyl]amino]acetate
CID 110484571
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide
CID 110484706
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111831066
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
2-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110484612
2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 21189455
(2S)-2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 22886039
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
CID 110690667
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide?
The IUPAC name of N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide (CID 97007740) is N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide?
The canonical SMILES for N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide is CC(C)(C)[S@@](=O)CCNC(=O)Cc1ccco1.
What is the InChIKey of N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide?
The InChIKey is INVRTUJJGPEONV-KRWDZBQOSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,3)17(15)8-6-13-11(14)9-10-5-4-7-16-10/h4-5,7H,6,8-9H2,1-3H3,(H,13,14)/t17-/m0/s1.
What are the key properties of N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide?
N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide has a molecular weight of 257.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 97007740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).