N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 63234172

IUPACN-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)c2ccc(N)cc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-13-9-10-14(19-13)20(17,18)16(4-2)12-7-5-11(15)6-8-12/h5-10H,3-4,15H2,1-2H3
InChIKeyCVSMTEWCAQQWNA-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.11
Rot. Bonds5

About N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide

N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide (PubChem CID 63234172) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
PubChem CID63234172
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)c2ccc(N)cc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-13-9-10-14(19-13)20(17,18)16(4-2)12-7-5-11(15)6-8-12/h5-10H,3-4,15H2,1-2H3
InChIKeyCVSMTEWCAQQWNA-UHFFFAOYSA-N
XLogP3.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide
CID 63229565
N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
CID 63233810
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55384100
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 63233523
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
N-(4-aminocyclohexyl)-N,5-diethylthiophene-2-sulfonamide
CID 79115688
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
CID 63233825
N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
CID 63229626
5-ethyl-N,N-bis(2-methylpropyl)thiophene-2-sulfonamide
CID 60530858
4-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 104698282

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide (CID 63234172) is N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(CC)c2ccc(N)cc2)s1.
What is the InChIKey of N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide?
The InChIKey is CVSMTEWCAQQWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-13-9-10-14(19-13)20(17,18)16(4-2)12-7-5-11(15)6-8-12/h5-10H,3-4,15H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide?
N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide is sourced from PubChem (CID 63234172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).