2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide

C20H24Cl2N2O3S — CID 132672790

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
SMILESCCC(C(=O)NCCCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-18(20(25)23-13-7-10-15-8-5-4-6-9-15)24(28(2,26)27)19-14-16(21)11-12-17(19)22/h4-6,8-9,11-12,14,18H,3,7,10,13H2,1-2H3,(H,23,25)
InChIKeyPKYICLIVHJLOSA-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.29
Rot. Bonds9

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide (PubChem CID 132672790) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
PubChem CID132672790
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
SMILESCCC(C(=O)NCCCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-18(20(25)23-13-7-10-15-8-5-4-6-9-15)24(28(2,26)27)19-14-16(21)11-12-17(19)22/h4-6,8-9,11-12,14,18H,3,7,10,13H2,1-2H3,(H,23,25)
InChIKeyPKYICLIVHJLOSA-UHFFFAOYSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.29
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-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
CID 132671730
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 132667624
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 132668645
N-butyl-2-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]butanamide
CID 132743724
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
2-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132682082
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]butanamide
CID 132667096
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]butanamide
CID 132668695
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133204258
N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide
CID 132663421
2-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-methylbutanamide
CID 132684407
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)butanamide
CID 132672237

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide (CID 132672790) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide is CCC(C(=O)NCCCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide?
The InChIKey is PKYICLIVHJLOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-3-18(20(25)23-13-7-10-15-8-5-4-6-9-15)24(28(2,26)27)19-14-16(21)11-12-17(19)22/h4-6,8-9,11-12,14,18H,3,7,10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide has a molecular weight of 443.40 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 132672790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).