N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide

C17H23N3O3S2 — CID 15995651

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNS(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C17H23N3O3S2/c1-4-20(5-2)14-8-9-15(13(3)11-14)19-16(21)12-18-25(22,23)17-7-6-10-24-17/h6-11,18H,4-5,12H2,1-3H3,(H,19,21)
InChIKeyYYBBKFCJSKJMNG-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.82
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 15995651) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID15995651
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNS(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C17H23N3O3S2/c1-4-20(5-2)14-8-9-15(13(3)11-14)19-16(21)12-18-25(22,23)17-7-6-10-24-17/h6-11,18H,4-5,12H2,1-3H3,(H,19,21)
InChIKeyYYBBKFCJSKJMNG-UHFFFAOYSA-N
XLogP2.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
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-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113001706
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678440
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
CID 56603891
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879558
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-(1,2-dihydroacenaphthylen-5-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678310
N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 15995651) is N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide is CCN(CC)c1ccc(NC(=O)CNS(=O)(=O)c2cccs2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is YYBBKFCJSKJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-4-20(5-2)14-8-9-15(13(3)11-14)19-16(21)12-18-25(22,23)17-7-6-10-24-17/h6-11,18H,4-5,12H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 15995651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).