N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide

C21H28N2O3S — CID 113058470

IUPACN-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCc1ccc(N(CCNS(=O)(=O)c2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-18-6-10-20(11-7-18)23(17(4)24)15-14-22-27(25,26)21-12-8-19(9-13-21)16(2)3/h6-13,16,22H,5,14-15H2,1-4H3
InChIKeyOWXJFZXPVYBZEY-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.70
Rot. Bonds8

About N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide

N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113058470) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113058470
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCc1ccc(N(CCNS(=O)(=O)c2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-18-6-10-20(11-7-18)23(17(4)24)15-14-22-27(25,26)21-12-8-19(9-13-21)16(2)3/h6-13,16,22H,5,14-15H2,1-4H3
InChIKeyOWXJFZXPVYBZEY-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 113057370
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-(4-ethylphenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058473
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide (CID 113058470) is N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide is CCc1ccc(N(CCNS(=O)(=O)c2ccc(C(C)C)cc2)C(C)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is OWXJFZXPVYBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-18-6-10-20(11-7-18)23(17(4)24)15-14-22-27(25,26)21-12-8-19(9-13-21)16(2)3/h6-13,16,22H,5,14-15H2,1-4H3.
What are the key properties of N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113058470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).