4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide

C15H20N2O2S2 — CID 61301532

IUPAC4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
SMILESCN(CCCCc1ccccc1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C15H20N2O2S2/c1-17(21(18,19)15-11-14(16)12-20-15)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,16H2,1H3
InChIKeyOZMXYUWAOXBYJY-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.97
Rot. Bonds7

About 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide

4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide (PubChem CID 61301532) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
PubChem CID61301532
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
SMILESCN(CCCCc1ccccc1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C15H20N2O2S2/c1-17(21(18,19)15-11-14(16)12-20-15)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,16H2,1H3
InChIKeyOZMXYUWAOXBYJY-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61300920
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61300193
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 54982582
4-amino-N,N-dibutylthiophene-2-sulfonamide
CID 61301508
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
4-amino-N,N-bis(2-methoxyethyl)thiophene-2-sulfonamide
CID 61300165

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide (CID 61301532) is 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide is CN(CCCCc1ccccc1)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide?
The InChIKey is OZMXYUWAOXBYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-17(21(18,19)15-11-14(16)12-20-15)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,16H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide?
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61301532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).