5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide

C16H22N2O2S2 — CID 112985267

IUPAC5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H22N2O2S2/c1-3-4-5-12-17-14-7-9-15(10-8-14)18-22(19,20)16-11-6-13(2)21-16/h6-11,17-18H,3-5,12H2,1-2H3
InChIKeyDGCAFYIVEWGPJH-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.46
Rot. Bonds8

About 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 112985267) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
PubChem CID112985267
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H22N2O2S2/c1-3-4-5-12-17-14-7-9-15(10-8-14)18-22(19,20)16-11-6-13(2)21-16/h6-11,17-18H,3-5,12H2,1-2H3
InChIKeyDGCAFYIVEWGPJH-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.46
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

5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
CID 112980180
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985276
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122324368
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide (CID 112985267) is 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is DGCAFYIVEWGPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-3-4-5-12-17-14-7-9-15(10-8-14)18-22(19,20)16-11-6-13(2)21-16/h6-11,17-18H,3-5,12H2,1-2H3.
What are the key properties of 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 338.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112985267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).