N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide

C22H31NO2S — CID 10571414

IUPACN-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(Cc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31NO2S/c1-17(2)26(24,25)23-16-20(15-18-9-7-6-8-10-18)19-11-13-21(14-12-19)22(3,4)5/h6-14,17,20,23H,15-16H2,1-5H3
InChIKeyLPTJQBVVSCHMJH-UHFFFAOYSA-N
MW373.56 g/mol
LogP4.64
Rot. Bonds7

About N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide

N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide (PubChem CID 10571414) has the molecular formula C22H31NO2S and a molecular weight of 373.56 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide
PubChem CID10571414
Molecular FormulaC22H31NO2S
Molecular Weight373.56 g/mol
Exact Mass373.21
IUPAC NameN-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(Cc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31NO2S/c1-17(2)26(24,25)23-16-20(15-18-9-7-6-8-10-18)19-11-13-21(14-12-19)22(3,4)5/h6-14,17,20,23H,15-16H2,1-5H3
InChIKeyLPTJQBVVSCHMJH-UHFFFAOYSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide (CID 10571414) is N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(Cc1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide?
The InChIKey is LPTJQBVVSCHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2S/c1-17(2)26(24,25)23-16-20(15-18-9-7-6-8-10-18)19-11-13-21(14-12-19)22(3,4)5/h6-14,17,20,23H,15-16H2,1-5H3.
What are the key properties of N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide?
N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide has a molecular weight of 373.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-3-phenylpropyl]propane-2-sulfonamide is sourced from PubChem (CID 10571414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).