N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide

C13H20N4O5S — CID 22668771

IUPACN-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide
SMILESCN(C)CCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O5S/c1-15(2)9-8-14-13(18)10-16(23(3,21)22)11-4-6-12(7-5-11)17(19)20/h4-7H,8-10H2,1-3H3,(H,14,18)
InChIKeyAHQJIFZTVOOPKX-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.04
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide

N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide (PubChem CID 22668771) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide
PubChem CID22668771
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide
SMILESCN(C)CCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O5S/c1-15(2)9-8-14-13(18)10-16(23(3,21)22)11-4-6-12(7-5-11)17(19)20/h4-7H,8-10H2,1-3H3,(H,14,18)
InChIKeyAHQJIFZTVOOPKX-UHFFFAOYSA-N
XLogP0.04
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide
CID 22668565
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
CID 113156119
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 21372663
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
2-(4-bromo-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 21372849
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 126031270
2-(N-methylsulfonyl-4-nitroanilino)ethyl carbamate
CID 175109700
2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30242397
2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 43879651
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyethyl)acetamide
CID 30257475
N-(3-methoxypropyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 53280945

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide (CID 22668771) is N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide is CN(C)CCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide?
The InChIKey is AHQJIFZTVOOPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-15(2)9-8-14-13(18)10-16(23(3,21)22)11-4-6-12(7-5-11)17(19)20/h4-7H,8-10H2,1-3H3,(H,14,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide?
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide has a molecular weight of 344.39 g/mol, XLogP of 0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide is sourced from PubChem (CID 22668771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).