N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

C19H23N3O5S — CID 17192963

IUPACN-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCCC(C)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H23N3O5S/c1-3-14(2)17-6-4-5-7-18(17)21-19(23)12-13-20-28(26,27)16-10-8-15(9-11-16)22(24)25/h4-11,14,20H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyFANYBSBHYYRFAK-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.42
Rot. Bonds9

About N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 17192963) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID17192963
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCCC(C)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H23N3O5S/c1-3-14(2)17-6-4-5-7-18(17)21-19(23)12-13-20-28(26,27)16-10-8-15(9-11-16)22(24)25/h4-11,14,20H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyFANYBSBHYYRFAK-UHFFFAOYSA-N
XLogP3.42
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
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

3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17192801
N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-nitrobenzoate
CID 2502177
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192871
N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192805
N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192861
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 17192963) is N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is CCC(C)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is FANYBSBHYYRFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-14(2)17-6-4-5-7-18(17)21-19(23)12-13-20-28(26,27)16-10-8-15(9-11-16)22(24)25/h4-11,14,20H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 405.48 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).