N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide

C20H23ClN2O4S — CID 9270924

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-4-6-16(7-5-14)9-11-28(25,26)22-10-8-20(24)23-18-12-15(2)17(21)13-19(18)27-3/h4-7,9,11-13,22H,8,10H2,1-3H3,(H,23,24)/b11-9+
InChIKeyNBJWVDIATAHIBY-PKNBQFBNSA-N
MW422.93 g/mol
LogP3.88
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide (PubChem CID 9270924) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
PubChem CID9270924
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-4-6-16(7-5-14)9-11-28(25,26)22-10-8-20(24)23-18-12-15(2)17(21)13-19(18)27-3/h4-7,9,11-13,22H,8,10H2,1-3H3,(H,23,24)/b11-9+
InChIKeyNBJWVDIATAHIBY-PKNBQFBNSA-N
XLogP3.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 7602988
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 36749120
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 4235216
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18276091
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55914142

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide (CID 9270924) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The InChIKey is NBJWVDIATAHIBY-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-4-6-16(7-5-14)9-11-28(25,26)22-10-8-20(24)23-18-12-15(2)17(21)13-19(18)27-3/h4-7,9,11-13,22H,8,10H2,1-3H3,(H,23,24)/b11-9+.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide has a molecular weight of 422.93 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 9270924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).