N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide

C20H26N4O6S2 — CID 16962122

IUPACN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1
InChIInChI=1S/C20H26N4O6S2/c1-3-23(4-2)32(28,29)19-8-6-16(31-19)14-21-20(25)15-5-7-17(18(13-15)24(26)27)22-9-11-30-12-10-22/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,25)
InChIKeyVHJCDXFGCQVWON-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.45
Rot. Bonds9

About N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 16962122) has the molecular formula C20H26N4O6S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID16962122
Molecular FormulaC20H26N4O6S2
Molecular Weight482.58 g/mol
Exact Mass482.13
IUPAC NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1
InChIInChI=1S/C20H26N4O6S2/c1-3-23(4-2)32(28,29)19-8-6-16(31-19)14-21-20(25)15-5-7-17(18(13-15)24(26)27)22-9-11-30-12-10-22/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,25)
InChIKeyVHJCDXFGCQVWON-UHFFFAOYSA-N
XLogP2.45
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 18284337
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 110839509
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962073
N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 18291350
N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817
3-methyl-4-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41297055

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide (CID 16962122) is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is VHJCDXFGCQVWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S2/c1-3-23(4-2)32(28,29)19-8-6-16(31-19)14-21-20(25)15-5-7-17(18(13-15)24(26)27)22-9-11-30-12-10-22/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 482.58 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 16962122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).