N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide

C24H33N3O4S — CID 100512833

IUPACN-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1C
InChIInChI=1S/C24H33N3O4S/c1-17-11-9-14-21(18(17)2)27(32(6,30)31)16-10-15-22(28)25-20-13-8-7-12-19(20)23(29)26-24(3,4)5/h7-9,11-14H,10,15-16H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyKNLUJGNEBHAIOC-UHFFFAOYSA-N
MW459.61 g/mol
LogP4.02
Rot. Bonds8

About N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide

N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide (PubChem CID 100512833) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
PubChem CID100512833
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1C
InChIInChI=1S/C24H33N3O4S/c1-17-11-9-14-21(18(17)2)27(32(6,30)31)16-10-15-22(28)25-20-13-8-7-12-19(20)23(29)26-24(3,4)5/h7-9,11-14H,10,15-16H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyKNLUJGNEBHAIOC-UHFFFAOYSA-N
XLogP4.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 126134836
N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
CID 56782844
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126132732
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126132729
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53287605
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide?
The IUPAC name of N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide (CID 100512833) is N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide is Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1C.
What is the InChIKey of N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide?
The InChIKey is KNLUJGNEBHAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-17-11-9-14-21(18(17)2)27(32(6,30)31)16-10-15-22(28)25-20-13-8-7-12-19(20)23(29)26-24(3,4)5/h7-9,11-14H,10,15-16H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide?
N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide has a molecular weight of 459.61 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide is sourced from PubChem (CID 100512833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).