N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide

C19H20Cl2N2O4S — CID 58328858

IUPACN-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NCC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O4S/c1-28(26,27)23-15-6-2-13(3-7-15)5-9-19(25)22-12-16(24)10-14-4-8-17(20)18(21)11-14/h2-4,6-8,11,23H,5,9-10,12H2,1H3,(H,22,25)
InChIKeyZZAXVRQSZJVVIG-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.23
Rot. Bonds9

About N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide

N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide (PubChem CID 58328858) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide
PubChem CID58328858
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC NameN-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)NCC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O4S/c1-28(26,27)23-15-6-2-13(3-7-15)5-9-19(25)22-12-16(24)10-14-4-8-17(20)18(21)11-14/h2-4,6-8,11,23H,5,9-10,12H2,1H3,(H,22,25)
InChIKeyZZAXVRQSZJVVIG-UHFFFAOYSA-N
XLogP3.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
CID 143892707
2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide
CID 47078901
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
CID 123145328
4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 141354301
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide (CID 58328858) is N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide is CS(=O)(=O)Nc1ccc(CCC(=O)NCC(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is ZZAXVRQSZJVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-28(26,27)23-15-6-2-13(3-7-15)5-9-19(25)22-12-16(24)10-14-4-8-17(20)18(21)11-14/h2-4,6-8,11,23H,5,9-10,12H2,1H3,(H,22,25).
What are the key properties of N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide?
N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 443.35 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 58328858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).