N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide

C18H24N4O4S2 — CID 26227326

IUPACN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
SMILESCC(=O)NCCNC(=O)c1cc(NCc2ccsc2)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N4O4S2/c1-13(23)19-5-6-20-18(24)15-8-16(21-11-14-4-7-27-12-14)10-17(9-15)28(25,26)22(2)3/h4,7-10,12,21H,5-6,11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyARBNRFKJXWMBNB-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.48
Rot. Bonds9

About N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide

N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide (PubChem CID 26227326) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
PubChem CID26227326
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
SMILESCC(=O)NCCNC(=O)c1cc(NCc2ccsc2)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N4O4S2/c1-13(23)19-5-6-20-18(24)15-8-16(21-11-14-4-7-27-12-14)10-17(9-15)28(25,26)22(2)3/h4,7-10,12,21H,5-6,11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyARBNRFKJXWMBNB-UHFFFAOYSA-N
XLogP1.48
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide
CID 26223660
3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227458
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide
CID 45165144
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
CID 26143018
3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26144970
3-methylsulfonyl-N-(thiophen-3-ylmethyl)aniline
CID 54861617
3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26143583
3-bromo-5-(thiophen-3-ylmethylamino)benzoic acid
CID 102822963
N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide
CID 26134839
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide (CID 26227326) is N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide is CC(=O)NCCNC(=O)c1cc(NCc2ccsc2)cc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide?
The InChIKey is ARBNRFKJXWMBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-13(23)19-5-6-20-18(24)15-8-16(21-11-14-4-7-27-12-14)10-17(9-15)28(25,26)22(2)3/h4,7-10,12,21H,5-6,11H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide?
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide has a molecular weight of 424.55 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide is sourced from PubChem (CID 26227326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).