N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide

C11H17NO3S2 — CID 39033410

IUPACN-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide
SMILESCC[C@H](C)NC(=O)CS(=O)(=O)Cc1cccs1
InChIInChI=1S/C11H17NO3S2/c1-3-9(2)12-11(13)8-17(14,15)7-10-5-4-6-16-10/h4-6,9H,3,7-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyANJFNGFZXMFPPT-VIFPVBQESA-N
MW275.39 g/mol
LogP1.58
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide

N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide (PubChem CID 39033410) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide
PubChem CID39033410
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide
SMILESCC[C@H](C)NC(=O)CS(=O)(=O)Cc1cccs1
InChIInChI=1S/C11H17NO3S2/c1-3-9(2)12-11(13)8-17(14,15)7-10-5-4-6-16-10/h4-6,9H,3,7-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyANJFNGFZXMFPPT-VIFPVBQESA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminophenyl)methylsulfonyl]-N-butan-2-ylacetamide
CID 82177625
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
N-butan-2-yl-2-[(3-cyanophenyl)methylsulfonyl]acetamide
CID 82177626
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
CID 110919590
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide (CID 39033410) is N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide is CC[C@H](C)NC(=O)CS(=O)(=O)Cc1cccs1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide?
The InChIKey is ANJFNGFZXMFPPT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-3-9(2)12-11(13)8-17(14,15)7-10-5-4-6-16-10/h4-6,9H,3,7-8H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide?
N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide has a molecular weight of 275.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 39033410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).