N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

C21H24N2O3S — CID 90554264

IUPACN-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-16(24)23-19-11-7-17(8-12-19)6-5-15-22-27(25,26)20-13-9-18(10-14-20)21(2,3)4/h7-14,22H,15H2,1-4H3,(H,23,24)
InChIKeyFNYAURQEWPGTMK-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.27
Rot. Bonds4

About N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (PubChem CID 90554264) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
PubChem CID90554264
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-16(24)23-19-11-7-17(8-12-19)6-5-15-22-27(25,26)20-13-9-18(10-14-20)21(2,3)4/h7-14,22H,15H2,1-4H3,(H,23,24)
InChIKeyFNYAURQEWPGTMK-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-acetylphenyl)prop-2-ynyl]-4-tert-butylbenzenesulfonamide
CID 90553370
N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554254
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087
4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554249
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
CID 113002113
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554233
N-[3-(4-acetylphenyl)prop-2-ynyl]-4-methylbenzenesulfonamide
CID 90553317
N-[4-[3-[2-(dimethylamino)phenyl]prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90554453
4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
CID 90552730
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (CID 90554264) is N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is CC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The InChIKey is FNYAURQEWPGTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16(24)23-19-11-7-17(8-12-19)6-5-15-22-27(25,26)20-13-9-18(10-14-20)21(2,3)4/h7-14,22H,15H2,1-4H3,(H,23,24).
What are the key properties of N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 90554264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).