2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

C19H23ClN2O5S2 — CID 43895447

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O5S2/c1-4-18(14-8-10-17(11-9-14)28(2,24)25)21-19(23)13-22(29(3,26)27)16-7-5-6-15(20)12-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)
InChIKeyDDFUHDHQRVNTPK-UHFFFAOYSA-N
MW458.99 g/mol
LogP2.78
Rot. Bonds8

About 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (PubChem CID 43895447) has the molecular formula C19H23ClN2O5S2 and a molecular weight of 458.99 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
PubChem CID43895447
Molecular FormulaC19H23ClN2O5S2
Molecular Weight458.99 g/mol
Exact Mass458.07
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O5S2/c1-4-18(14-8-10-17(11-9-14)28(2,24)25)21-19(23)13-22(29(3,26)27)16-7-5-6-15(20)12-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)
InChIKeyDDFUHDHQRVNTPK-UHFFFAOYSA-N
XLogP2.78
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448
2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43901752
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902361
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43908428
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895541
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30242862
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895906
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43894026
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (CID 43895447) is 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The InChIKey is DDFUHDHQRVNTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S2/c1-4-18(14-8-10-17(11-9-14)28(2,24)25)21-19(23)13-22(29(3,26)27)16-7-5-6-15(20)12-16/h5-12,18H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide has a molecular weight of 458.99 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 43895447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).