N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide

C12H18N2O4S2 — CID 103899284

IUPACN-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCC1(NC(=O)Cc2ccc(S(N)(=O)=O)s2)CCCOC1
InChIInChI=1S/C12H18N2O4S2/c1-12(5-2-6-18-8-12)14-10(15)7-9-3-4-11(19-9)20(13,16)17/h3-4H,2,5-8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyHUAXFNAQNHESJY-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.62
Rot. Bonds4

About N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide

N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide (PubChem CID 103899284) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
PubChem CID103899284
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCC1(NC(=O)Cc2ccc(S(N)(=O)=O)s2)CCCOC1
InChIInChI=1S/C12H18N2O4S2/c1-12(5-2-6-18-8-12)14-10(15)7-9-3-4-11(19-9)20(13,16)17/h3-4H,2,5-8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyHUAXFNAQNHESJY-UHFFFAOYSA-N
XLogP0.62
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,4-dimethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 65382614
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072
N-(2-methylbutan-2-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 39007502
(3-methyloxan-3-yl)urea
CID 103895709
N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64723560
N-pentan-2-yl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 47166864
2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide
CID 81450580
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
N-(3-methyloxan-3-yl)-2-propan-2-yloxyacetamide
CID 103896995
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The IUPAC name of N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide (CID 103899284) is N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide is CC1(NC(=O)Cc2ccc(S(N)(=O)=O)s2)CCCOC1.
What is the InChIKey of N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The InChIKey is HUAXFNAQNHESJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-12(5-2-6-18-8-12)14-10(15)7-9-3-4-11(19-9)20(13,16)17/h3-4H,2,5-8H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide is sourced from PubChem (CID 103899284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).