N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide

C23H23N3O4S — CID 87927472

IUPACN-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H23N3O4S/c1-3-26(16-24)23(27)22(15-17-8-9-18-6-4-5-7-19(18)14-17)25-31(28,29)21-12-10-20(30-2)11-13-21/h4-14,22,25H,3,15H2,1-2H3
InChIKeyZIBGMWWVKPDSAE-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.07
Rot. Bonds8

About N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide

N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide (PubChem CID 87927472) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide
PubChem CID87927472
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide
SMILESCCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H23N3O4S/c1-3-26(16-24)23(27)22(15-17-8-9-18-6-4-5-7-19(18)14-17)25-31(28,29)21-12-10-20(30-2)11-13-21/h4-14,22,25H,3,15H2,1-2H3
InChIKeyZIBGMWWVKPDSAE-UHFFFAOYSA-N
XLogP3.07
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-N-ethyl-3-phenyl-2-(quinolin-6-ylsulfonylamino)propanamide
CID 87927388
4-acetamido-N-[1-[cyano(ethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 87927939
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-ethyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 54212480
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide
CID 87927831
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19608647
N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide
CID 87927086
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide (CID 87927472) is N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide is CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide?
The InChIKey is ZIBGMWWVKPDSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-3-26(16-24)23(27)22(15-17-8-9-18-6-4-5-7-19(18)14-17)25-31(28,29)21-12-10-20(30-2)11-13-21/h4-14,22,25H,3,15H2,1-2H3.
What are the key properties of N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide?
N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide has a molecular weight of 437.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 87927472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).