2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C25H27N3O6S2 — CID 22307501

IUPAC2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1c(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H27N3O6S2/c1-19-23(8-5-9-24(19)35(30,31)21-6-3-2-4-7-21)26-18-25(29)27-20-10-12-22(13-11-20)36(32,33)28-14-16-34-17-15-28/h2-13,26H,14-18H2,1H3,(H,27,29)
InChIKeyPXWWUMWZEGUJRF-UHFFFAOYSA-N
MW529.64 g/mol
LogP2.90
Rot. Bonds8

About 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 22307501) has the molecular formula C25H27N3O6S2 and a molecular weight of 529.64 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID22307501
Molecular FormulaC25H27N3O6S2
Molecular Weight529.64 g/mol
Exact Mass529.13
IUPAC Name2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1c(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H27N3O6S2/c1-19-23(8-5-9-24(19)35(30,31)21-6-3-2-4-7-21)26-18-25(29)27-20-10-12-22(13-11-20)36(32,33)28-14-16-34-17-15-28/h2-13,26H,14-18H2,1H3,(H,27,29)
InChIKeyPXWWUMWZEGUJRF-UHFFFAOYSA-N
XLogP2.90
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 42070359
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 22307501) is 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1c(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is PXWWUMWZEGUJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S2/c1-19-23(8-5-9-24(19)35(30,31)21-6-3-2-4-7-21)26-18-25(29)27-20-10-12-22(13-11-20)36(32,33)28-14-16-34-17-15-28/h2-13,26H,14-18H2,1H3,(H,27,29).
What are the key properties of 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 529.64 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 22307501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).