N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide

C17H27N3O4S — CID 18118530

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-16(2,3)19-14(21)11-18-15(22)12-7-9-13(10-8-12)25(23,24)20-17(4,5)6/h7-10,20H,11H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyDWWLMANBTFTDPU-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.41
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide (PubChem CID 18118530) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
PubChem CID18118530
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-16(2,3)19-14(21)11-18-15(22)12-7-9-13(10-8-12)25(23,24)20-17(4,5)6/h7-10,20H,11H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyDWWLMANBTFTDPU-UHFFFAOYSA-N
XLogP1.41
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 18166012
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588840
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571276

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide (CID 18118530) is N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide is CC(C)(C)NC(=O)CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide?
The InChIKey is DWWLMANBTFTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-16(2,3)19-14(21)11-18-15(22)12-7-9-13(10-8-12)25(23,24)20-17(4,5)6/h7-10,20H,11H2,1-6H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide has a molecular weight of 369.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide is sourced from PubChem (CID 18118530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).