N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide

C15H18N2O3S2 — CID 51183764

IUPACN-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C15H18N2O3S2/c1-11-8-9-21-15(11)10-17(3)22(19,20)14-6-4-13(5-7-14)16-12(2)18/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyJETVSDNJULHTRX-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.84
Rot. Bonds5

About N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide

N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide (PubChem CID 51183764) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
PubChem CID51183764
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C15H18N2O3S2/c1-11-8-9-21-15(11)10-17(3)22(19,20)14-6-4-13(5-7-14)16-12(2)18/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyJETVSDNJULHTRX-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 9406654
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 40952704
N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 17405259
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3649855
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652342
2-[(4-acetamidophenyl)sulfonyl-(3-ethoxypropyl)amino]-N-benzyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4565520

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide (CID 51183764) is N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2sccc2C)cc1.
What is the InChIKey of N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is JETVSDNJULHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11-8-9-21-15(11)10-17(3)22(19,20)14-6-4-13(5-7-14)16-12(2)18/h4-9H,10H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide?
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 51183764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).