N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide

C19H24N4O5S — CID 33068523

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C19H24N4O5S/c1-12-5-10-17(23(25)26)19(13(12)2)21-18(24)11-22(4)14(3)15-6-8-16(9-7-15)29(20,27)28/h5-10,14H,11H2,1-4H3,(H,21,24)(H2,20,27,28)/t14-/m1/s1
InChIKeyQXUCZERSPORVKQ-CQSZACIVSA-N
MW420.49 g/mol
LogP2.49
Rot. Bonds7

About N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide (PubChem CID 33068523) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
PubChem CID33068523
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C19H24N4O5S/c1-12-5-10-17(23(25)26)19(13(12)2)21-18(24)11-22(4)14(3)15-6-8-16(9-7-15)29(20,27)28/h5-10,14H,11H2,1-4H3,(H,21,24)(H2,20,27,28)/t14-/m1/s1
InChIKeyQXUCZERSPORVKQ-CQSZACIVSA-N
XLogP2.49
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
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-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013804
N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 46551786
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-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46809997
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792112
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133198
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677413
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide (CID 33068523) is N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The InChIKey is QXUCZERSPORVKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-12-5-10-17(23(25)26)19(13(12)2)21-18(24)11-22(4)14(3)15-6-8-16(9-7-15)29(20,27)28/h5-10,14H,11H2,1-4H3,(H,21,24)(H2,20,27,28)/t14-/m1/s1.
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 33068523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).