(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide

C12H17N3O5S — CID 8800730

IUPAC(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O5S/c1-3-8-13-12(16)9(2)14-21(19,20)11-6-4-10(5-7-11)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyKCJJCHFMHHAURQ-SECBINFHSA-N
MW315.35 g/mol
LogP0.79
Rot. Bonds7

About (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide

(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 8800730) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID8800730
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O5S/c1-3-8-13-12(16)9(2)14-21(19,20)11-6-4-10(5-7-11)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyKCJJCHFMHHAURQ-SECBINFHSA-N
XLogP0.79
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.79
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

2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800972
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
methyl (2S,3S)-3-methyl-2-[[(2S)-2-[(4-nitrophenyl)sulfonylamino]propanoyl]amino]pentanoate
CID 155717775
ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
CID 8800833
(2R)-2-[(4-nitrophenyl)carbamoylamino]-N-propylpropanamide
CID 39963659
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-propylpropanamide
CID 61250492
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 885109
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide (CID 8800730) is (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is KCJJCHFMHHAURQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-3-8-13-12(16)9(2)14-21(19,20)11-6-4-10(5-7-11)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide?
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 315.35 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 8800730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).