5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride

C16H27ClN4O4S — CID 119643324

IUPAC5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C16H26N4O4S.ClH/c1-5-16(17,6-2)10-18-15(22)13-9-12(19-11(3)21)7-8-14(13)20-25(4,23)24;/h7-9,20H,5-6,10,17H2,1-4H3,(H,18,22)(H,19,21);1H
InChIKeyYBPUTKNXKUZFDJ-UHFFFAOYSA-N
MW406.94 g/mol
LogP1.69
Rot. Bonds8

About 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride

5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride (PubChem CID 119643324) has the molecular formula C16H27ClN4O4S and a molecular weight of 406.94 g/mol. Its IUPAC name is 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride.

Molecular Properties

Compound Name5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
PubChem CID119643324
Molecular FormulaC16H27ClN4O4S
Molecular Weight406.94 g/mol
Exact Mass406.14
IUPAC Name5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C16H26N4O4S.ClH/c1-5-16(17,6-2)10-18-15(22)13-9-12(19-11(3)21)7-8-14(13)20-25(4,23)24;/h7-9,20H,5-6,10,17H2,1-4H3,(H,18,22)(H,19,21);1H
InChIKeyYBPUTKNXKUZFDJ-UHFFFAOYSA-N
XLogP1.69
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 119220222
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
CID 56516304
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453672
methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 56579697
5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
CID 56539236

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride?
The IUPAC name of 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride (CID 119643324) is 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride.
What is the SMILES notation for 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride?
The canonical SMILES for 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O.Cl.
What is the InChIKey of 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride?
The InChIKey is YBPUTKNXKUZFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S.ClH/c1-5-16(17,6-2)10-18-15(22)13-9-12(19-11(3)21)7-8-14(13)20-25(4,23)24;/h7-9,20H,5-6,10,17H2,1-4H3,(H,18,22)(H,19,21);1H.
What are the key properties of 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride?
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride has a molecular weight of 406.94 g/mol, XLogP of 1.69, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride is sourced from PubChem (CID 119643324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).