N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide

C26H28FN3O5S — CID 30276214

IUPACN-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2ccccc2F)cc1
InChIInChI=1S/C26H28FN3O5S/c1-26(2,3)29-25(32)20-9-5-7-11-22(20)28-24(31)17-30(23-12-8-6-10-21(23)27)36(33,34)19-15-13-18(35-4)14-16-19/h5-16H,17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyCCZHXMBGJJHNRN-UHFFFAOYSA-N
MW513.59 g/mol
LogP4.20
Rot. Bonds8

About N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide

N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 30276214) has the molecular formula C26H28FN3O5S and a molecular weight of 513.59 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID30276214
Molecular FormulaC26H28FN3O5S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC NameN-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2ccccc2F)cc1
InChIInChI=1S/C26H28FN3O5S/c1-26(2,3)29-25(32)20-9-5-7-11-22(20)28-24(31)17-30(23-12-8-6-10-21(23)27)36(33,34)19-15-13-18(35-4)14-16-19/h5-16H,17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyCCZHXMBGJJHNRN-UHFFFAOYSA-N
XLogP4.20
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 30271198
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 30267910
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30268898
2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40736677
N-butan-2-yl-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2943245
N-(4-ethylphenyl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30262115
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266194
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257028
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 53280467
N-[(2S)-butan-2-yl]-2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126118603

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide (CID 30276214) is N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2ccccc2F)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is CCZHXMBGJJHNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5S/c1-26(2,3)29-25(32)20-9-5-7-11-22(20)28-24(31)17-30(23-12-8-6-10-21(23)27)36(33,34)19-15-13-18(35-4)14-16-19/h5-16H,17H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide?
N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 513.59 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 30276214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).