N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C21H27N3O4S — CID 9203847

IUPACN-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-5-11-18(12-6-15)29(27,28)23-14-19(25)22-13-20(26)24-17-9-7-16(8-10-17)21(2,3)4/h5-12,23H,13-14H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyRMYOOGVTRISVMS-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.33
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 9203847) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID9203847
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-5-11-18(12-6-15)29(27,28)23-14-19(25)22-13-20(26)24-17-9-7-16(8-10-17)21(2,3)4/h5-12,23H,13-14H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyRMYOOGVTRISVMS-UHFFFAOYSA-N
XLogP2.33
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110601053
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
CID 113002113
N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
N-(4-tert-butylphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112997610
N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112997620
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
N-(3-chlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9042351
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 9203847) is N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is RMYOOGVTRISVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15-5-11-18(12-6-15)29(27,28)23-14-19(25)22-13-20(26)24-17-9-7-16(8-10-17)21(2,3)4/h5-12,23H,13-14H2,1-4H3,(H,22,25)(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 417.53 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 9203847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).