N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide

C17H23N3O3S2 — CID 113062233

IUPACN-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)s1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H23N3O3S2/c1-13-5-10-17(24-13)25(22,23)18-11-12-20(14(2)21)16-8-6-15(7-9-16)19(3)4/h5-10,18H,11-12H2,1-4H3
InChIKeyCKKZCYLVJOMEKH-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.45
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide

N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide (PubChem CID 113062233) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
PubChem CID113062233
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)s1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H23N3O3S2/c1-13-5-10-17(24-13)25(22,23)18-11-12-20(14(2)21)16-8-6-15(7-9-16)19(3)4/h5-10,18H,11-12H2,1-4H3
InChIKeyCKKZCYLVJOMEKH-UHFFFAOYSA-N
XLogP2.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113059149
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
N-[4-(dimethylamino)phenyl]-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113062231
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-fluorophenyl)acetamide
CID 113062699
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113061694
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide (CID 113062233) is N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)s1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is CKKZCYLVJOMEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-13-5-10-17(24-13)25(22,23)18-11-12-20(14(2)21)16-8-6-15(7-9-16)19(3)4/h5-10,18H,11-12H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113062233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).