N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide

C21H26ClN3O4S — CID 100753386

IUPACN-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O4S/c1-4-15(2)23-21(27)17-10-6-8-12-19(17)24-20(26)14-25(30(3,28)29)13-16-9-5-7-11-18(16)22/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyWZVZNRVEWFNHIT-HNNXBMFYSA-N
MW451.98 g/mol
LogP3.27
Rot. Bonds9

About N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide (PubChem CID 100753386) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide
PubChem CID100753386
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC NameN-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O4S/c1-4-15(2)23-21(27)17-10-6-8-12-19(17)24-20(26)14-25(30(3,28)29)13-16-9-5-7-11-18(16)22/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyWZVZNRVEWFNHIT-HNNXBMFYSA-N
XLogP3.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]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

N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
CID 100625817
2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317350
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
CID 43899854
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1317743
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317744
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126128084
N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126118433
N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126119056
N-[(2R)-butan-2-yl]-2-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 2193587
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1296650

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide (CID 100753386) is N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide?
The InChIKey is WZVZNRVEWFNHIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-4-15(2)23-21(27)17-10-6-8-12-19(17)24-20(26)14-25(30(3,28)29)13-16-9-5-7-11-18(16)22/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide has a molecular weight of 451.98 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide is sourced from PubChem (CID 100753386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).