N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide

C23H31N3O4S — CID 43899854

IUPACN-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C23H31N3O4S/c1-6-17(4)24-23(28)19-12-7-9-13-20(19)25-22(27)15-26(31(5,29)30)21-14-10-8-11-18(21)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyAUUUOSSVLVSBFD-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.74
Rot. Bonds9

About N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide

N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide (PubChem CID 43899854) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
PubChem CID43899854
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C23H31N3O4S/c1-6-17(4)24-23(28)19-12-7-9-13-20(19)25-22(27)15-26(31(5,29)30)21-14-10-8-11-18(21)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyAUUUOSSVLVSBFD-UHFFFAOYSA-N
XLogP3.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126118433
2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317350
N-[(2S)-butan-2-yl]-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126122626
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30276109
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1296650
N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126154518
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317744
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1317743
N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide
CID 100753386

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide (CID 43899854) is N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide?
The InChIKey is AUUUOSSVLVSBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-6-17(4)24-23(28)19-12-7-9-13-20(19)25-22(27)15-26(31(5,29)30)21-14-10-8-11-18(21)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 43899854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).