2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C23H29N3O6S — CID 40986070

IUPAC2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C23H29N3O6S/c1-16-10-11-21(31-2)20(13-16)26(33(3,29)30)15-22(27)25-19-9-5-4-8-18(19)23(28)24-14-17-7-6-12-32-17/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3,(H,24,28)(H,25,27)/t17-/m0/s1
InChIKeyAGJVHQNAUAXAQY-KRWDZBQOSA-N
MW475.57 g/mol
LogP2.32
Rot. Bonds9

About 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 40986070) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID40986070
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O
InChIInChI=1S/C23H29N3O6S/c1-16-10-11-21(31-2)20(13-16)26(33(3,29)30)15-22(27)25-19-9-5-4-8-18(19)23(28)24-14-17-7-6-12-32-17/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3,(H,24,28)(H,25,27)/t17-/m0/s1
InChIKeyAGJVHQNAUAXAQY-KRWDZBQOSA-N
XLogP2.32
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1311681
2-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 100559763
2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133160858
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43900791
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17313016
2-[[2-(2,4-dimethylphenyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133200000
2-[4-(3-methoxy-N-methylsulfonylanilino)butanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 125058359
2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43900777
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2968893

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 40986070) is 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O.
What is the InChIKey of 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is AGJVHQNAUAXAQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-16-10-11-21(31-2)20(13-16)26(33(3,29)30)15-22(27)25-19-9-5-4-8-18(19)23(28)24-14-17-7-6-12-32-17/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3,(H,24,28)(H,25,27)/t17-/m0/s1.
What are the key properties of 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 475.57 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 40986070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).