N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide

C15H18N2O3S2 — CID 32684135

IUPACN-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNS(=O)(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H18N2O3S2/c1-10-8-15(11(2)21-10)22(19,20)16-9-13-4-6-14(7-5-13)17-12(3)18/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyPHYVQRTVOSAICY-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.80
Rot. Bonds5

About N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide

N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide (PubChem CID 32684135) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide
PubChem CID32684135
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNS(=O)(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H18N2O3S2/c1-10-8-15(11(2)21-10)22(19,20)16-9-13-4-6-14(7-5-13)17-12(3)18/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyPHYVQRTVOSAICY-UHFFFAOYSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39791888
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 105357708
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide
CID 87032970
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide (CID 32684135) is N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNS(=O)(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide?
The InChIKey is PHYVQRTVOSAICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10-8-15(11(2)21-10)22(19,20)16-9-13-4-6-14(7-5-13)17-12(3)18/h4-8,16H,9H2,1-3H3,(H,17,18).
What are the key properties of N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide?
N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 32684135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).