3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide

C20H25N5O5S — CID 37322815

IUPAC3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NCCC(=O)Nc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H25N5O5S/c21-31(29,30)15-8-9-16(19(14-15)25(27)28)22-11-10-20(26)23-17-6-2-3-7-18(17)24-12-4-1-5-13-24/h2-3,6-9,14,22H,1,4-5,10-13H2,(H,23,26)(H2,21,29,30)
InChIKeyMDXALKLNMUDWHJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.67
Rot. Bonds8

About 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide

3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide (PubChem CID 37322815) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide
PubChem CID37322815
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC Name3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NCCC(=O)Nc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H25N5O5S/c21-31(29,30)15-8-9-16(19(14-15)25(27)28)22-11-10-20(26)23-17-6-2-3-7-18(17)24-12-4-1-5-13-24/h2-3,6-9,14,22H,1,4-5,10-13H2,(H,23,26)(H2,21,29,30)
InChIKeyMDXALKLNMUDWHJ-UHFFFAOYSA-N
XLogP2.67
TPSA147.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-bromophenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 36838470
3-(2-nitro-4-sulfamoylanilino)-N-(2-phenylsulfanylethyl)propanamide
CID 55407564
N-[2,6-di(propan-2-yl)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55406333
3-(2-nitro-4-sulfamoylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 24502548
4-[[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide
CID 119469474
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55993883
N-(2-methyl-1-phenylpropyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24625531
N-(2-morpholin-4-yl-1-phenylethyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24505188
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-[4-(4-methylphenoxy)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24503032
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide
CID 24620463
3-nitro-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide
CID 55433861

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide (CID 37322815) is 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide is NS(=O)(=O)c1ccc(NCCC(=O)Nc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide?
The InChIKey is MDXALKLNMUDWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S/c21-31(29,30)15-8-9-16(19(14-15)25(27)28)22-11-10-20(26)23-17-6-2-3-7-18(17)24-12-4-1-5-13-24/h2-3,6-9,14,22H,1,4-5,10-13H2,(H,23,26)(H2,21,29,30).
What are the key properties of 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide?
3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide has a molecular weight of 447.52 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 37322815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).