2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide

C21H26ClN3O4S — CID 24550332

IUPAC2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-21(2,3)24-19(26)13-23-20(27)15-25(14-16-7-5-4-6-8-16)30(28,29)18-11-9-17(22)10-12-18/h4-12H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyMNLPTOWKIQDQAB-UHFFFAOYSA-N
MW451.98 g/mol
LogP2.56
Rot. Bonds8

About 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide

2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide (PubChem CID 24550332) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide
PubChem CID24550332
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-21(2,3)24-19(26)13-23-20(27)15-25(14-16-7-5-4-6-8-16)30(28,29)18-11-9-17(22)10-12-18/h4-12H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyMNLPTOWKIQDQAB-UHFFFAOYSA-N
XLogP2.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
CID 18168976
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
CID 2174588
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 126005686
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
CID 29281469
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide (CID 24550332) is 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide?
The InChIKey is MNLPTOWKIQDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-21(2,3)24-19(26)13-23-20(27)15-25(14-16-7-5-4-6-8-16)30(28,29)18-11-9-17(22)10-12-18/h4-12H,13-15H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide?
2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide has a molecular weight of 451.98 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 24550332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).