2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide

C19H28N2O2S2 — CID 59230144

IUPAC2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccc(-c2cccs2)cc1
InChIInChI=1S/C19H28N2O2S2/c1-19(2,3)25(22,23)21-14-6-4-5-13-20-17-11-9-16(10-12-17)18-8-7-15-24-18/h7-12,15,20-21H,4-6,13-14H2,1-3H3
InChIKeyQUOBDWXZBDYJBX-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.72
Rot. Bonds9

About 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide

2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide (PubChem CID 59230144) has the molecular formula C19H28N2O2S2 and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide
PubChem CID59230144
Molecular FormulaC19H28N2O2S2
Molecular Weight380.58 g/mol
Exact Mass380.16
IUPAC Name2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccc(-c2cccs2)cc1
InChIInChI=1S/C19H28N2O2S2/c1-19(2,3)25(22,23)21-14-6-4-5-13-20-17-11-9-16(10-12-17)18-8-7-15-24-18/h7-12,15,20-21H,4-6,13-14H2,1-3H3
InChIKeyQUOBDWXZBDYJBX-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.72
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

N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
CID 70939729
N-[5-[4-(2,5-dihydropyrrol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70938875
N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide
CID 54365594
2-methyl-N-[5-[4-(4-methylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide
CID 59230957
N-[5-[4-[bis(2-hydroxyethyl)amino]anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939625
N-[5-(1,3-benzothiazol-6-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939102
N-[5-(3-fluoro-4-methoxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CID 59231544
N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939628
N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939642
2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
CID 70939637
N-fluoro-4-thiophen-2-ylbenzenesulfonamide
CID 87730443
N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide
CID 89118415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide (CID 59230144) is 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide?
The InChIKey is QUOBDWXZBDYJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S2/c1-19(2,3)25(22,23)21-14-6-4-5-13-20-17-11-9-16(10-12-17)18-8-7-15-24-18/h7-12,15,20-21H,4-6,13-14H2,1-3H3.
What are the key properties of 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide?
2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide has a molecular weight of 380.58 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide is sourced from PubChem (CID 59230144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).