4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide

C15H19NO3S3 — CID 59983833

IUPAC4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccsc2)[C@H](C)CS)cc1
InChIInChI=1S/C15H19NO3S3/c1-12(10-20)16(9-13-7-8-21-11-13)22(17,18)15-5-3-14(19-2)4-6-15/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyWMPLYFFWXHOQLK-GFCCVEGCSA-N
MW357.52 g/mol
LogP3.27
Rot. Bonds7

About 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide

4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 59983833) has the molecular formula C15H19NO3S3 and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID59983833
Molecular FormulaC15H19NO3S3
Molecular Weight357.52 g/mol
Exact Mass357.05
IUPAC Name4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccsc2)[C@H](C)CS)cc1
InChIInChI=1S/C15H19NO3S3/c1-12(10-20)16(9-13-7-8-21-11-13)22(17,18)15-5-3-14(19-2)4-6-15/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyWMPLYFFWXHOQLK-GFCCVEGCSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
4-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 99973102
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
N-(3-bromopropyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 80672135
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
CID 101025085
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
CID 93166027
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 59983833) is 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccsc2)[C@H](C)CS)cc1.
What is the InChIKey of 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is WMPLYFFWXHOQLK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO3S3/c1-12(10-20)16(9-13-7-8-21-11-13)22(17,18)15-5-3-14(19-2)4-6-15/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide?
4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 357.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 59983833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).