N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide

C13H17N3O6S — CID 9165497

IUPACN-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O6S/c1-22-12-5-4-10(8-11(12)16(18)19)23(20,21)14-7-6-13(17)15-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyKDHSKICGPUTIKO-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.55
Rot. Bonds8

About N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide

N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide (PubChem CID 9165497) has the molecular formula C13H17N3O6S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide
PubChem CID9165497
Molecular FormulaC13H17N3O6S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O6S/c1-22-12-5-4-10(8-11(12)16(18)19)23(20,21)14-7-6-13(17)15-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyKDHSKICGPUTIKO-UHFFFAOYSA-N
XLogP0.55
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.55
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

3-[(4-methoxy-3-nitrophenyl)sulfonylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9265727
N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 9294843
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]propanamide
CID 56569415
N-(4-aminobutyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 60895774
N-[(2S)-2-hydroxypropyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 83030727
4-methoxy-3-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966675
N-(4-chlorocyclohexyl)-4-methoxy-3-nitrobenzamide
CID 114297314
3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79385378
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 63194359
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide (CID 9165497) is N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is KDHSKICGPUTIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6S/c1-22-12-5-4-10(8-11(12)16(18)19)23(20,21)14-7-6-13(17)15-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide?
N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 343.36 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 9165497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).