N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide

C21H27N5O6S — CID 24505188

IUPACN-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
SMILESNS(=O)(=O)c1ccc(NCCC(=O)NC(CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H27N5O6S/c22-33(30,31)17-6-7-18(20(14-17)26(28)29)23-9-8-21(27)24-19(16-4-2-1-3-5-16)15-25-10-12-32-13-11-25/h1-7,14,19,23H,8-13,15H2,(H,24,27)(H2,22,30,31)
InChIKeyOIWQQIBKWDYUET-UHFFFAOYSA-N
MW477.54 g/mol
LogP1.23
Rot. Bonds10

About N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide

N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide (PubChem CID 24505188) has the molecular formula C21H27N5O6S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
PubChem CID24505188
Molecular FormulaC21H27N5O6S
Molecular Weight477.54 g/mol
Exact Mass477.17
IUPAC NameN-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
SMILESNS(=O)(=O)c1ccc(NCCC(=O)NC(CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H27N5O6S/c22-33(30,31)17-6-7-18(20(14-17)26(28)29)23-9-8-21(27)24-19(16-4-2-1-3-5-16)15-25-10-12-32-13-11-25/h1-7,14,19,23H,8-13,15H2,(H,24,27)(H2,22,30,31)
InChIKeyOIWQQIBKWDYUET-UHFFFAOYSA-N
XLogP1.23
TPSA156.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-(2-methyl-1-phenylpropyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24625531
3-(2-nitro-4-sulfamoylanilino)-N-(2-phenylsulfanylethyl)propanamide
CID 55407564
4-fluoro-3-nitrobenzenesulfonamide;4-(3-morpholin-4-ylpropylamino)-3-nitrobenzenesulfonamide
CID 87316206
3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide
CID 37322815
N-[2,6-di(propan-2-yl)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55406333
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
3-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-nitrobenzamide
CID 9148512
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide?
The IUPAC name of N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide (CID 24505188) is N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide?
The canonical SMILES for N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide is NS(=O)(=O)c1ccc(NCCC(=O)NC(CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide?
The InChIKey is OIWQQIBKWDYUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O6S/c22-33(30,31)17-6-7-18(20(14-17)26(28)29)23-9-8-21(27)24-19(16-4-2-1-3-5-16)15-25-10-12-32-13-11-25/h1-7,14,19,23H,8-13,15H2,(H,24,27)(H2,22,30,31).
What are the key properties of N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide?
N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide has a molecular weight of 477.54 g/mol, XLogP of 1.23, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide is sourced from PubChem (CID 24505188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).