4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

C14H18N2O3S2 — CID 81440427

IUPAC4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)Cc2ccsc2)ccc1N
InChIInChI=1S/C14H18N2O3S2/c1-10(7-11-5-6-20-9-11)16-21(17,18)12-3-4-13(15)14(8-12)19-2/h3-6,8-10,16H,7,15H2,1-2H3
InChIKeyPKXLZOGBAMMIAT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.25
Rot. Bonds6

About 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (PubChem CID 81440427) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
PubChem CID81440427
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)Cc2ccsc2)ccc1N
InChIInChI=1S/C14H18N2O3S2/c1-10(7-11-5-6-20-9-11)16-21(17,18)12-3-4-13(15)14(8-12)19-2/h3-6,8-10,16H,7,15H2,1-2H3
InChIKeyPKXLZOGBAMMIAT-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474983
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
3-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-sulfonamide
CID 103305478
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (CID 81440427) is 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is COc1cc(S(=O)(=O)NC(C)Cc2ccsc2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is PKXLZOGBAMMIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10(7-11-5-6-20-9-11)16-21(17,18)12-3-4-13(15)14(8-12)19-2/h3-6,8-10,16H,7,15H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 81440427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).