N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide

C24H34N2O4S — CID 132673941

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(N(CC(=O)NC(C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H34N2O4S/c1-17(2)30-22-10-8-9-21(15-22)26(31(7,28)29)16-23(27)25-18(3)19-11-13-20(14-12-19)24(4,5)6/h8-15,17-18H,16H2,1-7H3,(H,25,27)
InChIKeyTYLLAMCSHDLWQO-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.41
Rot. Bonds8

About N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide

N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide (PubChem CID 132673941) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
PubChem CID132673941
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(N(CC(=O)NC(C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H34N2O4S/c1-17(2)30-22-10-8-9-21(15-22)26(31(7,28)29)16-23(27)25-18(3)19-11-13-20(14-12-19)24(4,5)6/h8-15,17-18H,16H2,1-7H3,(H,25,27)
InChIKeyTYLLAMCSHDLWQO-UHFFFAOYSA-N
XLogP4.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
CID 133209994
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 28573775
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30303519
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30303252
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30274560
2-(3-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 38006149
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92677359
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]acetamide
CID 98053757

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide (CID 132673941) is N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide is CC(C)Oc1cccc(N(CC(=O)NC(C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
The InChIKey is TYLLAMCSHDLWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-17(2)30-22-10-8-9-21(15-22)26(31(7,28)29)16-23(27)25-18(3)19-11-13-20(14-12-19)24(4,5)6/h8-15,17-18H,16H2,1-7H3,(H,25,27).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide has a molecular weight of 446.61 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 132673941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).