3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide

C19H26N2O3S2 — CID 24563572

IUPAC3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H26N2O3S2/c1-15(2)18(21-26(23,24)17-12-8-14-25-17)19(22)20-13-7-6-11-16-9-4-3-5-10-16/h3-5,8-10,12,14-15,18,21H,6-7,11,13H2,1-2H3,(H,20,22)
InChIKeyQHUGLLUFCRTPQJ-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.19
Rot. Bonds10

About 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide

3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 24563572) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID24563572
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC Name3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H26N2O3S2/c1-15(2)18(21-26(23,24)17-12-8-14-25-17)19(22)20-13-7-6-11-16-9-4-3-5-10-16/h3-5,8-10,12,14-15,18,21H,6-7,11,13H2,1-2H3,(H,20,22)
InChIKeyQHUGLLUFCRTPQJ-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2S)-N-[3-[benzyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 29296315
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
(2R)-3-methyl-N-(3-propan-2-yloxypropyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111125
(2S)-3-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)butanamide
CID 92712119
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
(2S)-3-methyl-N-(4-phenylmethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41228343
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 92712117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide (CID 24563572) is 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCCCCc1ccccc1.
What is the InChIKey of 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is QHUGLLUFCRTPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-15(2)18(21-26(23,24)17-12-8-14-25-17)19(22)20-13-7-6-11-16-9-4-3-5-10-16/h3-5,8-10,12,14-15,18,21H,6-7,11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 394.56 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 24563572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).