2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C22H28N2O4S — CID 100507549

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-18-8-6-7-11-20(18)24(29(2,26)27)16-21(25)23-17-22(12-14-28-15-13-22)19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3,(H,23,25)
InChIKeyKSEGBYSKERTLSG-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.63
Rot. Bonds7

About 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 100507549) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID100507549
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-18-8-6-7-11-20(18)24(29(2,26)27)16-21(25)23-17-22(12-14-28-15-13-22)19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3,(H,23,25)
InChIKeyKSEGBYSKERTLSG-UHFFFAOYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 100661394
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100653623
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100602099
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
(2R)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 125049378
N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 37281546
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55852266
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
(2S)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100608692
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 100507549) is 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide is Cc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is KSEGBYSKERTLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-18-8-6-7-11-20(18)24(29(2,26)27)16-21(25)23-17-22(12-14-28-15-13-22)19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 100507549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).