2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide

C20H24N2O4S — CID 17256954

IUPAC2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)14-27(25,26)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCVKCXMUUHNLAEJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.77
Rot. Bonds6

About 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide

2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide (PubChem CID 17256954) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide
PubChem CID17256954
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)14-27(25,26)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCVKCXMUUHNLAEJ-UHFFFAOYSA-N
XLogP2.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide
CID 17309531
N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
CID 56782844
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
CID 4306506
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
CID 4306504
2-[[2-[(3-bromophenyl)methylsulfonyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 52741726
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 8768897
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079913

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide?
The IUPAC name of 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide (CID 17256954) is 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide.
What is the SMILES notation for 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide?
The canonical SMILES for 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide?
The InChIKey is CVKCXMUUHNLAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)14-27(25,26)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide?
2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide is sourced from PubChem (CID 17256954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).