N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide

C18H19NO5S — CID 71935173

IUPACN-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
SMILESCOc1ccc(C=CC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C18H19NO5S/c1-23-16-10-6-14(18(12-16)24-2)7-11-17(20)13-4-8-15(9-5-13)19-25(3,21)22/h4-12,19H,1-3H3
InChIKeyBXGKYNFZJXHZLH-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.97
Rot. Bonds7

About N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide

N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide (PubChem CID 71935173) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
PubChem CID71935173
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
SMILESCOc1ccc(C=CC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C18H19NO5S/c1-23-16-10-6-14(18(12-16)24-2)7-11-17(20)13-4-8-15(9-5-13)19-25(3,21)22/h4-12,19H,1-3H3
InChIKeyBXGKYNFZJXHZLH-UHFFFAOYSA-N
XLogP2.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
(E)-3-(2,4-dimethoxyphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557240
N-[4-[3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 76878528
[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzoate
CID 3526790
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-2-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745322
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8827183
N-[4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]methanesulfonamide
CID 76878493
(E)-3-(2,5-dimethoxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 6048491
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 9448690
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 5340533
[3-acetyloxy-4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 71324556

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide (CID 71935173) is N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide is COc1ccc(C=CC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1.
What is the InChIKey of N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
The InChIKey is BXGKYNFZJXHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-23-16-10-6-14(18(12-16)24-2)7-11-17(20)13-4-8-15(9-5-13)19-25(3,21)22/h4-12,19H,1-3H3.
What are the key properties of N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71935173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).