4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 61300920

IUPAC4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C14H18N2O2S2/c1-11(2)16(9-12-6-4-3-5-7-12)20(17,18)14-8-13(15)10-19-14/h3-8,10-11H,9,15H2,1-2H3
InChIKeyWUVXMLDAWRLHCR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.93
Rot. Bonds5

About 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide

4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 61300920) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID61300920
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C14H18N2O2S2/c1-11(2)16(9-12-6-4-3-5-7-12)20(17,18)14-8-13(15)10-19-14/h3-8,10-11H,9,15H2,1-2H3
InChIKeyWUVXMLDAWRLHCR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
CID 50835263
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 61301532
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784
4-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 61301534
N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide
CID 60516930
4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 112656690
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288
N-benzyl-1-bromo-N-propan-2-ylmethanesulfonamide
CID 83084025
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
N-benzyl-3-[(benzylamino)methyl]-N-propan-2-ylbenzenesulfonamide
CID 59826220

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide (CID 61300920) is 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is WUVXMLDAWRLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11(2)16(9-12-6-4-3-5-7-12)20(17,18)14-8-13(15)10-19-14/h3-8,10-11H,9,15H2,1-2H3.
What are the key properties of 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 61300920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).