N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide

C12H18N2O4S2 — CID 103742641

IUPACN-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCC1(CNC(=O)c2csc(S(N)(=O)=O)c2)CCOCC1
InChIInChI=1S/C12H18N2O4S2/c1-12(2-4-18-5-3-12)8-14-11(15)9-6-10(19-7-9)20(13,16)17/h6-7H,2-5,8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyNDMJNJPAFNEEGD-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.94
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide

N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 103742641) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID103742641
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCC1(CNC(=O)c2csc(S(N)(=O)=O)c2)CCOCC1
InChIInChI=1S/C12H18N2O4S2/c1-12(2-4-18-5-3-12)8-14-11(15)9-6-10(19-7-9)20(13,16)17/h6-7H,2-5,8H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyNDMJNJPAFNEEGD-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
CID 103737497
N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 36650596
N-(oxolan-3-yl)-5-sulfamoylthiophene-3-carboxamide
CID 80715507
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide
CID 119569037

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide (CID 103742641) is N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide is CC1(CNC(=O)c2csc(S(N)(=O)=O)c2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is NDMJNJPAFNEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-12(2-4-18-5-3-12)8-14-11(15)9-6-10(19-7-9)20(13,16)17/h6-7H,2-5,8H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide?
N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 103742641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).