N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide

C19H20Cl2N2O3S — CID 46227102

IUPACN-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NC/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-16-8-4-14(5-9-16)7-11-19(24)22-12-2-3-15-6-10-17(20)18(21)13-15/h2-6,8-10,13,23H,7,11-12H2,1H3,(H,22,24)/b3-2+
InChIKeyDYDYWAUIPSJJSN-NSCUHMNNSA-N
MW427.35 g/mol
LogP4.13
Rot. Bonds8

About N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide

N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide (PubChem CID 46227102) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide
PubChem CID46227102
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC NameN-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NC/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-16-8-4-14(5-9-16)7-11-19(24)22-12-2-3-15-6-10-17(20)18(21)13-15/h2-6,8-10,13,23H,7,11-12H2,1H3,(H,22,24)/b3-2+
InChIKeyDYDYWAUIPSJJSN-NSCUHMNNSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-Amino-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide
CID 10431434
N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11270075
N-[3-(4-chlorophenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11292857
N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11303670
N-[(4-tert-butylphenyl)methyl]-2-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 11339228
N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide
CID 46227072
N-(2-(3,4-Dichlorophenylamino)ethyl)-3-(4-(methylsulfonamido)phenyl)propanamide
CID 46227092
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 57401816
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 67441643
4-[(4-chlorobenzyl)(methylsulfonyl)amino]-N-[2-(1-cyclohexen-1-yl)ethyl]benzamide
CID 1312358
N-Allyl-4-[(4-chloro-benzyl)-methanesulfonyl-amino]-benzamide
CID 2262525
2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide (CID 46227102) is N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide is CS(=O)(=O)Nc1ccc(CCC(=O)NC/C=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is DYDYWAUIPSJJSN-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-16-8-4-14(5-9-16)7-11-19(24)22-12-2-3-15-6-10-17(20)18(21)13-15/h2-6,8-10,13,23H,7,11-12H2,1H3,(H,22,24)/b3-2+.
What are the key properties of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 427.35 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-3-[4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 46227102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).