N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide

C25H36N2O3S — CID 132673257

IUPACN-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(N(CCCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H36N2O3S/c1-7-20-10-16-23(17-11-20)27(31(6,29)30)18-8-9-24(28)26-19(2)21-12-14-22(15-13-21)25(3,4)5/h10-17,19H,7-9,18H2,1-6H3,(H,26,28)
InChIKeyLJVBLQKPEVZYGN-UHFFFAOYSA-N
MW444.64 g/mol
LogP4.97
Rot. Bonds9

About N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide

N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide (PubChem CID 132673257) has the molecular formula C25H36N2O3S and a molecular weight of 444.64 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
PubChem CID132673257
Molecular FormulaC25H36N2O3S
Molecular Weight444.64 g/mol
Exact Mass444.24
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(N(CCCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H36N2O3S/c1-7-20-10-16-23(17-11-20)27(31(6,29)30)18-8-9-24(28)26-19(2)21-12-14-22(15-13-21)25(3,4)5/h10-17,19H,7-9,18H2,1-6H3,(H,26,28)
InChIKeyLJVBLQKPEVZYGN-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.64
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133199763
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 100735118
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 100500032
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 100547113
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 124561496
4-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131677
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165753
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide (CID 132673257) is N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide is CCc1ccc(N(CCCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
The InChIKey is LJVBLQKPEVZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3S/c1-7-20-10-16-23(17-11-20)27(31(6,29)30)18-8-9-24(28)26-19(2)21-12-14-22(15-13-21)25(3,4)5/h10-17,19H,7-9,18H2,1-6H3,(H,26,28).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide?
N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide has a molecular weight of 444.64 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132673257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).