N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide

C19H21NO5S — CID 44564677

IUPACN-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide
SMILESCOc1cc(/C=C/C(=O)c2cccc(NS(=O)(=O)C(C)C)c2)ccc1O
InChIInChI=1S/C19H21NO5S/c1-13(2)26(23,24)20-16-6-4-5-15(12-16)17(21)9-7-14-8-10-18(22)19(11-14)25-3/h4-13,20,22H,1-3H3/b9-7+
InChIKeyQXYFTAQRDPSOCY-VQHVLOKHSA-N
MW375.45 g/mol
LogP3.45
Rot. Bonds7

About N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide

N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide (PubChem CID 44564677) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide
PubChem CID44564677
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide
SMILESCOc1cc(/C=C/C(=O)c2cccc(NS(=O)(=O)C(C)C)c2)ccc1O
InChIInChI=1S/C19H21NO5S/c1-13(2)26(23,24)20-16-6-4-5-15(12-16)17(21)9-7-14-8-10-18(22)19(11-14)25-3/h4-13,20,22H,1-3H3/b9-7+
InChIKeyQXYFTAQRDPSOCY-VQHVLOKHSA-N
XLogP3.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]benzamide
CID 11676588
N-[3-[(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858924
3-[3-(propan-2-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 54971187
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
(E)-1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 24895134
(E)-1-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 8856159
(E)-3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 16555481
(E)-N-(3-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 90682051
4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 9447517
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 52771922
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide (CID 44564677) is N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide is COc1cc(/C=C/C(=O)c2cccc(NS(=O)(=O)C(C)C)c2)ccc1O.
What is the InChIKey of N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide?
The InChIKey is QXYFTAQRDPSOCY-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-13(2)26(23,24)20-16-6-4-5-15(12-16)17(21)9-7-14-8-10-18(22)19(11-14)25-3/h4-13,20,22H,1-3H3/b9-7+.
What are the key properties of N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide?
N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 44564677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).