2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide

C19H22Cl2N2O3S — CID 132668690

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
SMILESCC(C(=O)NCCCc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O3S/c1-14(23(27(2,25)26)17-10-5-9-16(20)13-17)19(24)22-12-6-8-15-7-3-4-11-18(15)21/h3-5,7,9-11,13-14H,6,8,12H2,1-2H3,(H,22,24)
InChIKeyDWIRDOSORAQALV-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.90
Rot. Bonds8

About 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide

2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide (PubChem CID 132668690) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
PubChem CID132668690
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
SMILESCC(C(=O)NCCCc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O3S/c1-14(23(27(2,25)26)17-10-5-9-16(20)13-17)19(24)22-12-6-8-15-7-3-4-11-18(15)21/h3-5,7,9-11,13-14H,6,8,12H2,1-2H3,(H,22,24)
InChIKeyDWIRDOSORAQALV-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132667606
N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132664350
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide
CID 132663421
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132672238
N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132671710
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220477
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
2-(3-chloro-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
CID 43907550

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide (CID 132668690) is 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide is CC(C(=O)NCCCc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide?
The InChIKey is DWIRDOSORAQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-14(23(27(2,25)26)17-10-5-9-16(20)13-17)19(24)22-12-6-8-15-7-3-4-11-18(15)21/h3-5,7,9-11,13-14H,6,8,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide has a molecular weight of 429.37 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide is sourced from PubChem (CID 132668690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).