N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide

C23H19N3O3S — CID 67188234

IUPACN-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccn(S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H19N3O3S/c24-21-7-3-4-8-22(21)25-23(27)12-9-17-13-14-26(16-17)30(28,29)20-11-10-18-5-1-2-6-19(18)15-20/h1-16H,24H2,(H,25,27)
InChIKeyMRNOJWJLAVFBJS-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.11
Rot. Bonds5

About N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide

N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide (PubChem CID 67188234) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide
PubChem CID67188234
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccn(S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H19N3O3S/c24-21-7-3-4-8-22(21)25-23(27)12-9-17-13-14-26(16-17)30(28,29)20-11-10-18-5-1-2-6-19(18)15-20/h1-16H,24H2,(H,25,27)
InChIKeyMRNOJWJLAVFBJS-UHFFFAOYSA-N
XLogP4.11
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[(E)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 86630028
(E)-N-(2-aminophenyl)-3-[1-[4-[4-(dimethylsulfamoyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 15985198
N-(2-aminophenyl)-3-[1-[3-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 68528273
N-(2-aminophenyl)-3-[1-[4-[3-(methanesulfonamido)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 68526538
(E)-3-[1-(2-acetamido-4-phenylphenyl)sulfonylpyrrol-3-yl]-N-(2-aminophenyl)prop-2-enamide
CID 68640860
tert-butyl (E)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enoate
CID 67191365
(E)-3-[1-(2-acetamido-6-phenylphenyl)sulfonylpyrrol-3-yl]-N-(2-aminophenyl)prop-2-enamide
CID 154636029
(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 155677008
(E)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)-N-(oxan-2-yloxy)prop-2-enamide
CID 86630027
(E)-N-(2-aminophenyl)-3-[1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpyrrol-3-yl]prop-2-enamide
CID 11604830
(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
CID 15985848
tert-butyl N-[[4-[4-[3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxoprop-1-enyl]pyrrol-1-yl]sulfonylphenyl]phenyl]methyl]carbamate
CID 68633966

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide?
The IUPAC name of N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide (CID 67188234) is N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide is Nc1ccccc1NC(=O)C=Cc1ccn(S(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide?
The InChIKey is MRNOJWJLAVFBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c24-21-7-3-4-8-22(21)25-23(27)12-9-17-13-14-26(16-17)30(28,29)20-11-10-18-5-1-2-6-19(18)15-20/h1-16H,24H2,(H,25,27).
What are the key properties of N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide?
N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide has a molecular weight of 417.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(1-naphthalen-2-ylsulfonylpyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 67188234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).