2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide

C23H32N2O5S — CID 10388987

IUPAC2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
SMILESCc1ccc(N(CC(=O)N(CCO)CCO)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O5S/c1-18-5-9-20(10-6-18)25(17-22(28)24(13-15-26)14-16-27)31(29,30)21-11-7-19(8-12-21)23(2,3)4/h5-12,26-27H,13-17H2,1-4H3
InChIKeyMRGVNYSJXWKYMG-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.30
Rot. Bonds9

About 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide

2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 10388987) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID10388987
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
SMILESCc1ccc(N(CC(=O)N(CCO)CCO)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O5S/c1-18-5-9-20(10-6-18)25(17-22(28)24(13-15-26)14-16-27)31(29,30)21-11-7-19(8-12-21)23(2,3)4/h5-12,26-27H,13-17H2,1-4H3
InChIKeyMRGVNYSJXWKYMG-UHFFFAOYSA-N
XLogP2.30
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
CID 10409682
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
CID 142673074
N-benzyl-2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N-(2-cyanoethyl)acetamide
CID 58978395
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-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902281
2-[N-(4-tert-butylphenyl)sulfonyl-3-(dimethylamino)anilino]-N-(2-hydroxyethyl)-N-(quinolin-2-ylmethyl)acetamide
CID 58978315
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide
CID 58990667
N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 100935731
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide (CID 10388987) is 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide is Cc1ccc(N(CC(=O)N(CCO)CCO)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is MRGVNYSJXWKYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-18-5-9-20(10-6-18)25(17-22(28)24(13-15-26)14-16-27)31(29,30)21-11-7-19(8-12-21)23(2,3)4/h5-12,26-27H,13-17H2,1-4H3.
What are the key properties of 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide?
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 448.59 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 10388987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).