2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide

C19H25N3O7S2 — CID 55461123

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
SMILESCCCOc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H25N3O7S2/c1-4-8-28-16-11-14(15(22(24)25)12-17(16)29-9-5-2)20-18(23)13-21(3)31(26,27)19-7-6-10-30-19/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,20,23)
InChIKeyQUPACLZHWYRYGD-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.49
Rot. Bonds12

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide (PubChem CID 55461123) has the molecular formula C19H25N3O7S2 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
PubChem CID55461123
Molecular FormulaC19H25N3O7S2
Molecular Weight471.56 g/mol
Exact Mass471.11
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
SMILESCCCOc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H25N3O7S2/c1-4-8-28-16-11-14(15(22(24)25)12-17(16)29-9-5-2)20-18(23)13-21(3)31(26,27)19-7-6-10-30-19/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,20,23)
InChIKeyQUPACLZHWYRYGD-UHFFFAOYSA-N
XLogP3.49
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.49
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

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-propoxyphenyl)acetamide
CID 24581765
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
N-(5-fluoro-4-methoxy-2-nitrophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 126828969
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 62522087
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
CID 110492997
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51307237

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide (CID 55461123) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide is CCCOc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OCCC.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide?
The InChIKey is QUPACLZHWYRYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7S2/c1-4-8-28-16-11-14(15(22(24)25)12-17(16)29-9-5-2)20-18(23)13-21(3)31(26,27)19-7-6-10-30-19/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,20,23).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide has a molecular weight of 471.56 g/mol, XLogP of 3.49, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide is sourced from PubChem (CID 55461123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).