2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide

C22H27N3O5S — CID 46520814

IUPAC2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C22H27N3O5S/c1-4-15-23-22(27)16(2)24-21(26)14-11-17-9-12-18(13-10-17)31(28,29)25-19-7-5-6-8-20(19)30-3/h5-14,16,25H,4,15H2,1-3H3,(H,23,27)(H,24,26)/b14-11+
InChIKeyPSHHCORSUCJZJF-SDNWHVSQSA-N
MW445.54 g/mol
LogP2.54
Rot. Bonds10

About 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide

2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide (PubChem CID 46520814) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide
PubChem CID46520814
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C22H27N3O5S/c1-4-15-23-22(27)16(2)24-21(26)14-11-17-9-12-18(13-10-17)31(28,29)25-19-7-5-6-8-20(19)30-3/h5-14,16,25H,4,15H2,1-3H3,(H,23,27)(H,24,26)/b14-11+
InChIKeyPSHHCORSUCJZJF-SDNWHVSQSA-N
XLogP2.54
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-N-[(E)-pent-3-enyl]prop-2-enamide
CID 86953157
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819652
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161276
(E)-N-(5-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26696619
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 9314898
2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819695
(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 7993031
(2S)-2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 8733792
N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55843820
4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 26532556

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide (CID 46520814) is 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
The InChIKey is PSHHCORSUCJZJF-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-4-15-23-22(27)16(2)24-21(26)14-11-17-9-12-18(13-10-17)31(28,29)25-19-7-5-6-8-20(19)30-3/h5-14,16,25H,4,15H2,1-3H3,(H,23,27)(H,24,26)/b14-11+.
What are the key properties of 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide has a molecular weight of 445.54 g/mol, XLogP of 2.54, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 46520814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).