N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide

C24H24N2O4S — CID 3982456

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-8-10-21(16-18(17)2)26-31(28,29)22-13-11-20(12-14-22)25-24(27)15-9-19-6-4-5-7-23(19)30-3/h4-16,26H,1-3H3,(H,25,27)
InChIKeyBPWSNHTYCUTIMT-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.76
Rot. Bonds7

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 3982456) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID3982456
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-8-10-21(16-18(17)2)26-31(28,29)22-13-11-20(12-14-22)25-24(27)15-9-19-6-4-5-7-23(19)30-3/h4-16,26H,1-3H3,(H,25,27)
InChIKeyBPWSNHTYCUTIMT-UHFFFAOYSA-N
XLogP4.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26657138
3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1182198
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
3-(2-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4506725
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylbenzoic acid
CID 17297353
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17109155
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 6233289
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
CID 42998725

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 3982456) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1C=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is BPWSNHTYCUTIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-8-10-21(16-18(17)2)26-31(28,29)22-13-11-20(12-14-22)25-24(27)15-9-19-6-4-5-7-23(19)30-3/h4-16,26H,1-3H3,(H,25,27).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 436.53 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3982456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).