N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

C20H26N2O3S — CID 3914679

IUPACN-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-18(16-8-6-5-7-9-16)14-19(23)21-20(2,3)4/h5-13,18,22H,14H2,1-4H3,(H,21,23)
InChIKeyQESHBLJXUOFSAW-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.32
Rot. Bonds6

About N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 3914679) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID3914679
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-18(16-8-6-5-7-9-16)14-19(23)21-20(2,3)4/h5-13,18,22H,14H2,1-4H3,(H,21,23)
InChIKeyQESHBLJXUOFSAW-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 3914679) is N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)NC(CC(=O)NC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is QESHBLJXUOFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-18(16-8-6-5-7-9-16)14-19(23)21-20(2,3)4/h5-13,18,22H,14H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 374.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 3914679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).