N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

C17H28N2O3S2 — CID 20965302

IUPACN-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H28N2O3S2/c1-13(2)16(19-24(21,22)15-11-8-12-23-15)17(20)18-14-9-6-4-3-5-7-10-14/h8,11-14,16,19H,3-7,9-10H2,1-2H3,(H,18,20)
InChIKeyKMSXXCGFTANLMY-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.28
Rot. Bonds6

About N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 20965302) has the molecular formula C17H28N2O3S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID20965302
Molecular FormulaC17H28N2O3S2
Molecular Weight372.56 g/mol
Exact Mass372.15
IUPAC NameN-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H28N2O3S2/c1-13(2)16(19-24(21,22)15-11-8-12-23-15)17(20)18-14-9-6-4-3-5-7-10-14/h8,11-14,16,19H,3-7,9-10H2,1-2H3,(H,18,20)
InChIKeyKMSXXCGFTANLMY-UHFFFAOYSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 92712117
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925
4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230364
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965305
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
N-[(1R,2S)-4,4,4-trichloro-1-cyclohexyl-2-methyl-3-oxobutyl]thiophene-2-sulfonamide
CID 102087003
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 43005231
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 20965302) is N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is KMSXXCGFTANLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S2/c1-13(2)16(19-24(21,22)15-11-8-12-23-15)17(20)18-14-9-6-4-3-5-7-10-14/h8,11-14,16,19H,3-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 372.56 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 20965302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).