2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide

C20H23N3O5S — CID 126134629

IUPAC2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C20H23N3O5S/c1-4-13-21-20(25)15-9-5-6-10-16(15)22-19(24)14-23(29(3,26)27)17-11-7-8-12-18(17)28-2/h4-12H,1,13-14H2,2-3H3,(H,21,25)(H,22,24)
InChIKeyDNCNZHPBXNBXAG-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.02
Rot. Bonds9

About 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide

2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 126134629) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID126134629
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C20H23N3O5S/c1-4-13-21-20(25)15-9-5-6-10-16(15)22-19(24)14-23(29(3,26)27)17-11-7-8-12-18(17)28-2/h4-12H,1,13-14H2,2-3H3,(H,21,25)(H,22,24)
InChIKeyDNCNZHPBXNBXAG-UHFFFAOYSA-N
XLogP2.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 2194495
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 126134836
2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 43899862
N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100641559
2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2957888
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1311681
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-prop-2-enylbenzamide
CID 126129090
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide (CID 126134629) is 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is DNCNZHPBXNBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-4-13-21-20(25)15-9-5-6-10-16(15)22-19(24)14-23(29(3,26)27)17-11-7-8-12-18(17)28-2/h4-12H,1,13-14H2,2-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 126134629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).