N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide

C21H24N4O4S — CID 24665455

IUPACN-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H24N4O4S/c1-4-15(2)23-21(27)18-7-5-6-8-19(18)24-20(26)14-25(3)30(28,29)17-11-9-16(13-22)10-12-17/h5-12,15H,4,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZSPHLGSPTLXLAW-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.35
Rot. Bonds8

About N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide

N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide (PubChem CID 24665455) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
PubChem CID24665455
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H24N4O4S/c1-4-15(2)23-21(27)18-7-5-6-8-19(18)24-20(26)14-25(3)30(28,29)17-11-9-16(13-22)10-12-17/h5-12,15H,4,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZSPHLGSPTLXLAW-UHFFFAOYSA-N
XLogP2.35
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[[2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 133210066
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24664234
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1296650
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 32925814
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
N-[(2S)-butan-2-yl]-2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126118603
N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126119056
2-[[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 126185703
2-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 982937
2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 31471529
2-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 982939

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide (CID 24665455) is N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide?
The InChIKey is ZSPHLGSPTLXLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-4-15(2)23-21(27)18-7-5-6-8-19(18)24-20(26)14-25(3)30(28,29)17-11-9-16(13-22)10-12-17/h5-12,15H,4,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide has a molecular weight of 428.51 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 24665455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).