3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide

C20H20N2O4S2 — CID 10136677

IUPAC3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-14(2)26-16-10-8-15(9-11-16)21-20(23)19-18(12-13-27-19)22-28(24,25)17-6-4-3-5-7-17/h3-14,22H,1-2H3,(H,21,23)
InChIKeyNMGOFCXTTYXWAD-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.59
Rot. Bonds7

About 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide

3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide (PubChem CID 10136677) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
PubChem CID10136677
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-14(2)26-16-10-8-15(9-11-16)21-20(23)19-18(12-13-27-19)22-28(24,25)17-6-4-3-5-7-17/h3-14,22H,1-2H3,(H,21,23)
InChIKeyNMGOFCXTTYXWAD-UHFFFAOYSA-N
XLogP4.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 113093731
N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide
CID 70120492
N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
CID 10161709
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide (CID 10136677) is 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The InChIKey is NMGOFCXTTYXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-14(2)26-16-10-8-15(9-11-16)21-20(23)19-18(12-13-27-19)22-28(24,25)17-6-4-3-5-7-17/h3-14,22H,1-2H3,(H,21,23).
What are the key properties of 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide?
3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10136677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).