2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

C23H32N2O3S — CID 10409682

IUPAC2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h9-16H,7-8,17H2,1-6H3
InChIKeyOFXZJOZJRALMEK-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.36
Rot. Bonds7

About 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (PubChem CID 10409682) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
PubChem CID10409682
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h9-16H,7-8,17H2,1-6H3
InChIKeyOFXZJOZJRALMEK-UHFFFAOYSA-N
XLogP4.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
CID 142673074
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
CID 10388987
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
N-benzyl-2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N-(2-cyanoethyl)acetamide
CID 58978395
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide
CID 58990667
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
CID 3109560
N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 4610141
2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 163543244
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-quinolin-6-ylamino]-N-ethylacetamide
CID 58591194

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (CID 10409682) is 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The InChIKey is OFXZJOZJRALMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h9-16H,7-8,17H2,1-6H3.
What are the key properties of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide has a molecular weight of 416.59 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 10409682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).