N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C16H19N3O3S — CID 8677413

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2cccs2)c1C
InChIInChI=1S/C16H19N3O3S/c1-11-6-7-14(19(21)22)16(12(11)2)17-15(20)10-18(3)9-13-5-4-8-23-13/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyKVSLOJVYMGLBKY-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.34
Rot. Bonds6

About N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8677413) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8677413
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2cccs2)c1C
InChIInChI=1S/C16H19N3O3S/c1-11-6-7-14(19(21)22)16(12(11)2)17-15(20)10-18(3)9-13-5-4-8-23-13/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyKVSLOJVYMGLBKY-UHFFFAOYSA-N
XLogP3.34
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054887
N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8710505
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
CID 8965861
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 8676685
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8709670
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
2-[bis(thiophen-2-ylmethyl)amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8800992
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9251378
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium
CID 8717795

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 8677413) is N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2cccs2)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is KVSLOJVYMGLBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-6-7-14(19(21)22)16(12(11)2)17-15(20)10-18(3)9-13-5-4-8-23-13/h4-8H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8677413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).