N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide

C18H22N2O4S2 — CID 119046764

IUPACN-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c21-18(8-5-16-2-1-13-25-16)19-14-3-6-17(7-4-14)26(22,23)20-15-9-11-24-12-10-15/h1-4,6-7,13,15,20H,5,8-12H2,(H,19,21)
InChIKeyKOINQFQTUDPACH-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.78
Rot. Bonds7

About N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide

N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 119046764) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID119046764
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c21-18(8-5-16-2-1-13-25-16)19-14-3-6-17(7-4-14)26(22,23)20-15-9-11-24-12-10-15/h1-4,6-7,13,15,20H,5,8-12H2,(H,19,21)
InChIKeyKOINQFQTUDPACH-UHFFFAOYSA-N
XLogP2.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
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N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
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N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
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3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
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N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-[4-(propylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide
CID 38356025
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
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CID 55959827

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide (CID 119046764) is N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1.
What is the InChIKey of N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KOINQFQTUDPACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c21-18(8-5-16-2-1-13-25-16)19-14-3-6-17(7-4-14)26(22,23)20-15-9-11-24-12-10-15/h1-4,6-7,13,15,20H,5,8-12H2,(H,19,21).
What are the key properties of N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 394.52 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 119046764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).