N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide

C14H18N2O5S3 — CID 42998818

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H18N2O5S3/c1-11(10-21-2)15-23(17,18)13-7-5-12(6-8-13)16-24(19,20)14-4-3-9-22-14/h3-9,11,15-16H,10H2,1-2H3
InChIKeyJVEWAPQUCAJYNH-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.86
Rot. Bonds8

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide (PubChem CID 42998818) has the molecular formula C14H18N2O5S3 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
PubChem CID42998818
Molecular FormulaC14H18N2O5S3
Molecular Weight390.51 g/mol
Exact Mass390.04
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H18N2O5S3/c1-11(10-21-2)15-23(17,18)13-7-5-12(6-8-13)16-24(19,20)14-4-3-9-22-14/h3-9,11,15-16H,10H2,1-2H3
InChIKeyJVEWAPQUCAJYNH-UHFFFAOYSA-N
XLogP1.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
4-bromo-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
CID 42998830
N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 42999256
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
N-[4-[1-(ethylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 43508090

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide (CID 42998818) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide is COCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is JVEWAPQUCAJYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S3/c1-11(10-21-2)15-23(17,18)13-7-5-12(6-8-13)16-24(19,20)14-4-3-9-22-14/h3-9,11,15-16H,10H2,1-2H3.
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42998818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).