2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide

C19H22N4O5S — CID 9278853

IUPAC2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESCN(CC(=O)NCCNc1ccccc1[N+](=O)[O-])S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H22N4O5S/c1-22(29(27,28)14-11-16-7-3-2-4-8-16)15-19(24)21-13-12-20-17-9-5-6-10-18(17)23(25)26/h2-11,14,20H,12-13,15H2,1H3,(H,21,24)/b14-11+
InChIKeyRNNCSMGCQXCKED-SDNWHVSQSA-N
MW418.48 g/mol
LogP2.06
Rot. Bonds10

About 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide (PubChem CID 9278853) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
PubChem CID9278853
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESCN(CC(=O)NCCNc1ccccc1[N+](=O)[O-])S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H22N4O5S/c1-22(29(27,28)14-11-16-7-3-2-4-8-16)15-19(24)21-13-12-20-17-9-5-6-10-18(17)23(25)26/h2-11,14,20H,12-13,15H2,1H3,(H,21,24)/b14-11+
InChIKeyRNNCSMGCQXCKED-SDNWHVSQSA-N
XLogP2.06
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
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-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483076
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
N-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-nitroanilino)propanamide
CID 46434224
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 38253533
2-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 46519537
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
4-(4-nitroanilino)-N-[2-(2-nitroanilino)ethyl]butanamide
CID 31738306
2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278743
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
N-[2-(2-nitroanilino)ethyl]-3-phenylprop-2-ynamide
CID 11381305

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide (CID 9278853) is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide is CN(CC(=O)NCCNc1ccccc1[N+](=O)[O-])S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
The InChIKey is RNNCSMGCQXCKED-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-22(29(27,28)14-11-16-7-3-2-4-8-16)15-19(24)21-13-12-20-17-9-5-6-10-18(17)23(25)26/h2-11,14,20H,12-13,15H2,1H3,(H,21,24)/b14-11+.
What are the key properties of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide has a molecular weight of 418.48 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 9278853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).