N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide

C21H28N2O3S — CID 10475401

IUPACN,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-18-10-14-20(15-11-18)27(25,26)23(16-21(24)22(6-2)7-3)19-12-8-17(4)9-13-19/h8-15H,5-7,16H2,1-4H3
InChIKeyOLDJYSWECNTPCR-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.62
Rot. Bonds8

About N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide

N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 10475401) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID10475401
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-18-10-14-20(15-11-18)27(25,26)23(16-21(24)22(6-2)7-3)19-12-8-17(4)9-13-19/h8-15H,5-7,16H2,1-4H3
InChIKeyOLDJYSWECNTPCR-UHFFFAOYSA-N
XLogP3.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide (CID 10475401) is N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide is CCc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(C)cc2)cc1.
What is the InChIKey of N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is OLDJYSWECNTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-18-10-14-20(15-11-18)27(25,26)23(16-21(24)22(6-2)7-3)19-12-8-17(4)9-13-19/h8-15H,5-7,16H2,1-4H3.
What are the key properties of N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide?
N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(N-(4-ethylphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 10475401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).