4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide

C19H24N4O5S — CID 9278844

IUPAC4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H24N4O5S/c1-3-14(2)22-29(27,28)16-10-8-15(9-11-16)19(24)21-13-12-20-17-6-4-5-7-18(17)23(25)26/h4-11,14,20,22H,3,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyCFASMRPPWFRVTR-CQSZACIVSA-N
MW420.49 g/mol
LogP2.51
Rot. Bonds10

About 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide

4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide (PubChem CID 9278844) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide
PubChem CID9278844
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H24N4O5S/c1-3-14(2)22-29(27,28)16-10-8-15(9-11-16)19(24)21-13-12-20-17-6-4-5-7-18(17)23(25)26/h4-11,14,20,22H,3,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyCFASMRPPWFRVTR-CQSZACIVSA-N
XLogP2.51
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 46519537
N-[2-(2-nitroanilino)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9278940
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
2-methyl-5-(methylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 55489558
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
4-methyl-N-[(2S)-3-methyl-1-[2-(2-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 34200440
3-(methanesulfonamido)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 41275762
4-methyl-N-[2-(2-nitroanilino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 41275493
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide?
The IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide (CID 9278844) is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide?
The canonical SMILES for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide?
The InChIKey is CFASMRPPWFRVTR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-3-14(2)22-29(27,28)16-10-8-15(9-11-16)19(24)21-13-12-20-17-6-4-5-7-18(17)23(25)26/h4-11,14,20,22H,3,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide?
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 9278844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).