N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide

C15H25NO3S2 — CID 94635932

IUPACN-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
SMILESCCC(CC)[C@@H](NC(=O)CS(=O)(=O)C(C)C)c1cccs1
InChIInChI=1S/C15H25NO3S2/c1-5-12(6-2)15(13-8-7-9-20-13)16-14(17)10-21(18,19)11(3)4/h7-9,11-12,15H,5-6,10H2,1-4H3,(H,16,17)/t15-/m1/s1
InChIKeyZDNRXFLZBAMEFD-OAHLLOKOSA-N
MW331.50 g/mol
LogP3.16
Rot. Bonds8

About N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide

N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide (PubChem CID 94635932) has the molecular formula C15H25NO3S2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
PubChem CID94635932
Molecular FormulaC15H25NO3S2
Molecular Weight331.50 g/mol
Exact Mass331.13
IUPAC NameN-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
SMILESCCC(CC)[C@@H](NC(=O)CS(=O)(=O)C(C)C)c1cccs1
InChIInChI=1S/C15H25NO3S2/c1-5-12(6-2)15(13-8-7-9-20-13)16-14(17)10-21(18,19)11(3)4/h7-9,11-12,15H,5-6,10H2,1-4H3,(H,16,17)/t15-/m1/s1
InChIKeyZDNRXFLZBAMEFD-OAHLLOKOSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 119744636
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 94635884
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
4-[(2-ethyl-1-thiophen-2-ylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673032
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55984026
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55903263
4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 55904549
N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
CID 55903262
N-[(2S)-butan-2-yl]-2-(thiophen-2-ylmethylsulfonyl)acetamide
CID 39033410

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide (CID 94635932) is N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide is CCC(CC)[C@@H](NC(=O)CS(=O)(=O)C(C)C)c1cccs1.
What is the InChIKey of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide?
The InChIKey is ZDNRXFLZBAMEFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25NO3S2/c1-5-12(6-2)15(13-8-7-9-20-13)16-14(17)10-21(18,19)11(3)4/h7-9,11-12,15H,5-6,10H2,1-4H3,(H,16,17)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide?
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide has a molecular weight of 331.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 94635932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).